HEADER VIRUS 22-NOV-15 5FOJ TITLE ELECTRON CRYO-MICROSCOPY OF GRAPEVINE FANLEAF VIRUS TITLE 2 COMPLEX WITH NANOBODY COMPND MOL_ID: 1; COMPND 2 MOLECULE: NANOBODY; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: GRAPEVINE FANLEAF VIRUS; COMPND 6 CHAIN: B; COMPND 7 FRAGMENT: UNP RESIDUES 606-1109; COMPND 8 SYNONYM: P2,2B-MP, 2C-CP SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GRAPEVINE FANLEAF VIRUS; SOURCE 3 ORGANISM_TAXID: 12274; SOURCE 4 MOL_ID: 2; SOURCE 5 ORGANISM_SCIENTIFIC: GRAPEVINE FANLEAF VIRUS; SOURCE 6 ORGANISM_TAXID: 12274 KEYWDS VIRUS, NANOBODY, COMPLEX EXPDTA ELECTRON MICROSCOPY AUTHOR C.HEMMER,I.ORLOV,L.ACKERER,A.MARMONIER,K.HLEIBIEH, AUTHOR 2 C.SCHMITT-KEICHINGER,E.VIGNE,S.GERSCH,V.KOMAR,L.BELVAL,F.BERTHOLD, AUTHOR 3 B.MONSION,P.BRON,O.LEMAIRE,B.LORBER,J.Y.SGRO,C.GUTIERREZ, AUTHOR 4 S.MUYLDERMANS,G.DEMANGEAT,B.P.KLAHOLZ,C.RITZENTHALER REVDAT 1 20-JAN-16 5FOJ 0 JRNL AUTH C.HEMMER,I.ORLOV,L.ACKERER,A.MARMONIER,K.HLEIBIEH, JRNL AUTH 2 C.SCHMITT-KEICHINGER,E.VIGNE,S.GERSCH,V.KOMAR,L.BELVAL, JRNL AUTH 3 F.BERTHOLD,B.MONSION,P.BRON,O.LEMAIRE,B.LORBER,J.Y.SGRO, JRNL AUTH 4 C.GUTIERREZ,S.MUYLDERMANS,G.DEMANGEAT,B.P.KLAHOLZ, JRNL AUTH 5 C.RITZENTHALER JRNL TITL STRUCTURAL BASIS OF NANOBODY-MEDIATED PLANT VIRUS JRNL TITL 2 RESISTANCE AND VECTOR TRANSMISSION REVEALED BY CRYO-EM. JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 2.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : IMAGIC REMARK 3 RECONSTRUCTION SCHEMA : CROSS-COMMON LINES REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : 4V5T REMARK 3 REFINEMENT SPACE : REAL REMARK 3 REFINEMENT PROTOCOL : X-RAY REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : FLEXIBLE REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : 1.066 REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : 1.066 REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 2.8 REMARK 3 NUMBER OF PARTICLES : 6139 REMARK 3 CTF CORRECTION METHOD : EACH IMAGE REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: 120000 REMARK 3 REMARK 3 OTHER DETAILS: SUBMISSION BASED ON EXPERIMENTAL DATA REMARK 3 FROM EMDB EMD-3246. (DEPOSITION ID: 14064). REMARK 4 REMARK 4 5FOJ COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 23-NOV-15. REMARK 100 THE PDBE ID CODE IS EBI-65585. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : VITREOUS ICE REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : NULL REMARK 245 NAME OF SAMPLE : GRAPEVINE FANLEAF VIRUS REMARK 245 COMPLEX WITH NANOBODIES REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : 0.5 REMARK 245 SAMPLE SUPPORT DETAILS : HOLEY CARBON REMARK 245 SAMPLE VITRIFICATION DETAILS : VITRIFICATION 1 -- REMARK 245 CRYOGEN- ETHANE, HUMIDITY- 95, REMARK 245 INSTRUMENT- FEI REMARK 245 VITROBOT MARK III, REMARK 245 METHOD- BLOT FOR 2 SECONDS REMARK 245 BEFORE PLUNGING, REMARK 245 SAMPLE BUFFER : 100 MM TRIS PH 8.3, 50 MM NACL. REMARK 245 PH : 8.3 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : 14-DEC-14 REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : 1055 REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : OTHER REMARK 245 DETECTOR TYPE : FEI FALCON II (4K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 600 REMARK 245 MAXIMUM DEFOCUS (NM) : 6000 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : NULL REMARK 245 IMAGING MODE : BRIGHT FIELD REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 50 REMARK 245 ILLUMINATION MODE : OTHER REMARK 245 NOMINAL MAGNIFICATION : 120000 REMARK 245 CALIBRATED MAGNIFICATION : 120000 REMARK 245 SOURCE : FIELD EMISSION GUN REMARK 245 ACCELERATION VOLTAGE (KV) : 300 REMARK 245 IMAGING DETAILS : NULL REMARK 247 REMARK 247 ELECTRON MICROSCOPY REMARK 247 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON REMARK 247 MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE REMARK 247 THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES REMARK 247 ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION REMARK 247 OF THE STRUCTURE FACTORS. REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: 60-MER REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 -0.000000 0.000000 -0.00000 REMARK 350 BIOMT2 1 -0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT2 2 -0.500000 0.309017 -0.809017 -0.00000 REMARK 350 BIOMT3 2 0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT1 3 -0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 3 -0.000000 -0.000000 -1.000000 -0.00000 REMARK 350 BIOMT3 3 -1.000000 0.000000 -0.000000 0.00000 REMARK 350 BIOMT1 4 0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT2 4 -0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT3 4 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 5 0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 5 -0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT3 5 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 6 -0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT2 6 -0.809017 0.500000 -0.309017 -0.00000 REMARK 350 BIOMT3 6 0.500000 0.309017 -0.809017 -0.00000 REMARK 350 BIOMT1 7 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 7 0.500000 0.309017 -0.809017 -0.00000 REMARK 350 BIOMT3 7 -0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT1 8 -0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 8 0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT3 8 0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT1 9 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 9 -0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT3 9 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT1 10 0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT2 10 -0.309017 0.809017 -0.500000 -0.00000 REMARK 350 BIOMT3 10 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT1 11 -0.000000 -0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 11 -1.000000 0.000000 -0.000000 -0.00000 REMARK 350 BIOMT3 11 -0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 12 -0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT2 12 0.309017 0.809017 -0.500000 -0.00000 REMARK 350 BIOMT3 12 0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT1 13 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 13 0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT3 13 -0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT1 14 -0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT2 14 0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT3 14 -0.500000 -0.309017 0.809017 -0.00000 REMARK 350 BIOMT1 15 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 15 -0.500000 -0.309017 0.809017 -0.00000 REMARK 350 BIOMT3 15 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT1 16 0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 16 0.309017 0.809017 0.500000 -0.00000 REMARK 350 BIOMT3 16 0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT1 17 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT2 17 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT3 17 0.809017 0.500000 -0.309017 -0.00000 REMARK 350 BIOMT1 18 -0.000000 -0.000000 -1.000000 0.00000 REMARK 350 BIOMT2 18 1.000000 -0.000000 0.000000 -0.00000 REMARK 350 BIOMT3 18 0.000000 -1.000000 -0.000000 -0.00000 REMARK 350 BIOMT1 19 -0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT2 19 -0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT3 19 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT1 20 -0.000000 -1.000000 -0.000000 -0.00000 REMARK 350 BIOMT2 20 -0.000000 0.000000 1.000000 -0.00000 REMARK 350 BIOMT3 20 -1.000000 -0.000000 0.000000 0.00000 REMARK 350 BIOMT1 21 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT2 21 0.500000 0.309017 0.809017 -0.00000 REMARK 350 BIOMT3 21 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 22 0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 22 0.500000 -0.309017 0.809017 -0.00000 REMARK 350 BIOMT3 22 0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT1 23 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 23 0.809017 0.500000 0.309017 -0.00000 REMARK 350 BIOMT3 23 0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT1 24 0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT2 24 0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT3 24 -0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT1 25 -0.809017 -0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 25 -0.500000 0.309017 0.809017 -0.00000 REMARK 350 BIOMT3 25 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 26 -0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT2 26 -0.809017 0.500000 0.309017 -0.00000 REMARK 350 BIOMT3 26 -0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT1 27 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT2 27 0.809017 0.500000 -0.309017 -0.00000 REMARK 350 BIOMT3 27 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 28 1.000000 -0.000000 -0.000000 0.00000 REMARK 350 BIOMT2 28 -0.000000 -1.000000 -0.000000 -0.00000 REMARK 350 BIOMT3 28 -0.000000 -0.000000 -1.000000 -0.00000 REMARK 350 BIOMT1 29 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 29 0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT3 29 -0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT1 30 0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT2 30 -0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT3 30 -0.500000 0.309017 -0.809017 0.00000 REMARK 350 BIOMT1 31 -1.000000 -0.000000 -0.000000 0.00000 REMARK 350 BIOMT2 31 -0.000000 1.000000 -0.000000 -0.00000 REMARK 350 BIOMT3 31 -0.000000 -0.000000 -1.000000 -0.00000 REMARK 350 BIOMT1 32 0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT2 32 -0.500000 0.309017 -0.809017 -0.00000 REMARK 350 BIOMT3 32 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT1 33 0.000000 -1.000000 -0.000000 -0.00000 REMARK 350 BIOMT2 33 0.000000 -0.000000 -1.000000 -0.00000 REMARK 350 BIOMT3 33 1.000000 -0.000000 -0.000000 -0.00000 REMARK 350 BIOMT1 34 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT2 34 -0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT3 34 -0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT1 35 -0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT2 35 -0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT3 35 0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT1 36 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT2 36 -0.809017 0.500000 -0.309017 -0.00000 REMARK 350 BIOMT3 36 -0.500000 -0.309017 0.809017 -0.00000 REMARK 350 BIOMT1 37 0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT2 37 0.500000 0.309017 -0.809017 -0.00000 REMARK 350 BIOMT3 37 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT1 38 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT2 38 0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT3 38 -0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT1 39 0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT2 39 -0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT3 39 0.500000 -0.309017 -0.809017 -0.00000 REMARK 350 BIOMT1 40 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT2 40 -0.309017 0.809017 -0.500000 -0.00000 REMARK 350 BIOMT3 40 -0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT1 41 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 41 -1.000000 -0.000000 -0.000000 -0.00000 REMARK 350 BIOMT3 41 -0.000000 -1.000000 -0.000000 -0.00000 REMARK 350 BIOMT1 42 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT2 42 0.309017 0.809017 -0.500000 -0.00000 REMARK 350 BIOMT3 42 -0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT1 43 0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT2 43 0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT3 43 0.809017 0.500000 -0.309017 -0.00000 REMARK 350 BIOMT1 44 0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT2 44 0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT3 44 0.500000 0.309017 -0.809017 -0.00000 REMARK 350 BIOMT1 45 0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT2 45 -0.500000 -0.309017 0.809017 -0.00000 REMARK 350 BIOMT3 45 -0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT1 46 -0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT2 46 0.309017 0.809017 0.500000 -0.00000 REMARK 350 BIOMT3 46 -0.809017 0.500000 -0.309017 0.00000 REMARK 350 BIOMT1 47 0.500000 -0.309017 0.809017 0.00000 REMARK 350 BIOMT2 47 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT3 47 -0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT1 48 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT2 48 1.000000 0.000000 0.000000 -0.00000 REMARK 350 BIOMT3 48 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT1 49 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT2 49 -0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT3 49 0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT1 50 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT2 50 0.000000 0.000000 1.000000 -0.00000 REMARK 350 BIOMT3 50 1.000000 0.000000 0.000000 -0.00000 REMARK 350 BIOMT1 51 0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT2 51 0.500000 0.309017 0.809017 -0.00000 REMARK 350 BIOMT3 51 -0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT1 52 -0.809017 -0.500000 0.309017 0.00000 REMARK 350 BIOMT2 52 0.500000 -0.309017 0.809017 -0.00000 REMARK 350 BIOMT3 52 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT1 53 0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT2 53 0.809017 0.500000 0.309017 -0.00000 REMARK 350 BIOMT3 53 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT1 54 -0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT2 54 0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT3 54 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT1 55 0.809017 0.500000 0.309017 0.00000 REMARK 350 BIOMT2 55 -0.500000 0.309017 0.809017 -0.00000 REMARK 350 BIOMT3 55 0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT1 56 0.309017 0.809017 -0.500000 0.00000 REMARK 350 BIOMT2 56 -0.809017 0.500000 0.309017 -0.00000 REMARK 350 BIOMT3 56 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT1 57 0.309017 -0.809017 -0.500000 -0.00000 REMARK 350 BIOMT2 57 0.809017 0.500000 -0.309017 -0.00000 REMARK 350 BIOMT3 57 0.500000 -0.309017 0.809017 -0.00000 REMARK 350 BIOMT1 58 -1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 58 0.000000 -1.000000 0.000000 -0.00000 REMARK 350 BIOMT3 58 0.000000 0.000000 1.000000 -0.00000 REMARK 350 BIOMT1 59 -0.309017 -0.809017 0.500000 -0.00000 REMARK 350 BIOMT2 59 0.809017 -0.500000 -0.309017 -0.00000 REMARK 350 BIOMT3 59 0.500000 0.309017 0.809017 0.00000 REMARK 350 BIOMT1 60 -0.309017 0.809017 0.500000 0.00000 REMARK 350 BIOMT2 60 -0.809017 -0.500000 0.309017 -0.00000 REMARK 350 BIOMT3 60 0.500000 -0.309017 0.809017 -0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 HIS A 132 REMARK 465 HIS A 133 REMARK 465 HIS A 134 REMARK 465 HIS A 135 REMARK 465 HIS A 136 REMARK 465 HIS A 137 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 SER A 131 CA C O CB OG REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 PHE B 370 N - CA - C ANGL. DEV. = 17.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASP A 27 157.72 92.61 REMARK 500 ALA A 40 153.37 -49.13 REMARK 500 HIS A 56 6.30 83.39 REMARK 500 CYS A 96 71.42 58.24 REMARK 500 ILE A 102 107.55 102.07 REMARK 500 LEU B 20 -68.92 -102.84 REMARK 500 MET B 68 70.11 -116.34 REMARK 500 ASN B 74 46.59 -66.89 REMARK 500 SER B 83 72.37 50.21 REMARK 500 CYS B 114 -60.49 -141.44 REMARK 500 ASP B 276 46.77 -77.88 REMARK 500 ASP B 331 -77.06 -106.35 REMARK 500 VAL B 351 169.15 174.36 REMARK 500 ASP B 352 76.66 -156.53 REMARK 500 THR B 373 72.61 -150.62 REMARK 500 ASN B 375 1.13 81.37 REMARK 500 SER B 468 150.62 179.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 ASP A 90 24.5 L L OUTSIDE RANGE REMARK 500 ARG B 368 24.9 L L OUTSIDE RANGE REMARK 500 PHE B 370 23.3 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-3246 RELATED DB: EMDB DBREF 5FOJ A 1 137 PDB 5FOJ 5FOJ 1 137 DBREF 5FOJ B 1 504 UNP P18474 POL2_GFLV 606 1109 SEQRES 1 A 137 GLN VAL GLN LEU GLN GLU SER GLY GLY GLY SER VAL GLN SEQRES 2 A 137 VAL GLY GLY SER LEU ARG VAL ALA CYS ALA ALA SER GLY SEQRES 3 A 137 ASP THR PHE SER GLY TYR LEU ALA ALA TRP PHE ARG GLN SEQRES 4 A 137 ALA PRO GLY LYS GLY ARG GLU GLY VAL ALA ALA ILE ASN SEQRES 5 A 137 SER LYS ARG HIS THR THR SER TYR ALA ASP SER VAL LYS SEQRES 6 A 137 GLY ARG PHE THR ILE SER LYS ASP ASN ALA ASP ASN ILE SEQRES 7 A 137 MET TYR LEU GLU MET ASN SER LEU LYS PRO GLU ASP THR SEQRES 8 A 137 ALA ILE TYR TYR CYS ALA ALA ALA ASP ALA ILE GLY LEU SEQRES 9 A 137 ALA GLU TYR TRP SER THR PRO THR LEU SER ALA ALA ARG SEQRES 10 A 137 TYR LYS TYR TRP GLY GLN GLY THR GLN VAL THR VAL SER SEQRES 11 A 137 SER HIS HIS HIS HIS HIS HIS SEQRES 1 B 504 GLY LEU ALA GLY ARG GLY VAL ILE TYR ILE PRO LYS ASP SEQRES 2 B 504 CYS GLN ALA ASN ARG TYR LEU GLY THR LEU ASN ILE ARG SEQRES 3 B 504 ASP MET ILE SER ASP PHE LYS GLY VAL GLN TYR GLU LYS SEQRES 4 B 504 TRP ILE THR ALA GLY LEU VAL MET PRO THR PHE LYS ILE SEQRES 5 B 504 VAL ILE ARG LEU PRO ALA ASN ALA PHE THR GLY LEU THR SEQRES 6 B 504 TRP VAL MET SER PHE ASP ALA TYR ASN ARG ILE THR SER SEQRES 7 B 504 ARG ILE THR ALA SER ALA ASP PRO VAL TYR THR LEU SER SEQRES 8 B 504 VAL PRO HIS TRP LEU ILE HIS HIS LYS LEU GLY THR PHE SEQRES 9 B 504 SER CYS GLU ILE ASP TYR GLY GLU LEU CYS GLY HIS ALA SEQRES 10 B 504 MET TRP PHE LYS SER THR THR PHE GLU SER PRO ARG LEU SEQRES 11 B 504 HIS PHE THR CYS LEU THR GLY ASN ASN LYS GLU LEU ALA SEQRES 12 B 504 ALA ASP TRP GLN ALA VAL VAL GLU LEU TYR ALA GLU LEU SEQRES 13 B 504 GLU GLU ALA THR SER PHE LEU GLY LYS PRO THR LEU VAL SEQRES 14 B 504 PHE ASP PRO GLY VAL PHE ASN GLY LYS PHE GLN PHE LEU SEQRES 15 B 504 THR CYS PRO PRO ILE PHE PHE ASP LEU THR ALA VAL THR SEQRES 16 B 504 ALA LEU ARG SER ALA GLY LEU THR LEU GLY GLN VAL PRO SEQRES 17 B 504 MET VAL GLY THR THR LYS VAL TYR ASN LEU ASN SER THR SEQRES 18 B 504 LEU VAL SER CYS VAL LEU GLY MET GLY GLY THR VAL ARG SEQRES 19 B 504 GLY ARG VAL HIS ILE CYS ALA PRO ILE PHE TYR SER ILE SEQRES 20 B 504 VAL LEU TRP VAL VAL SER GLU TRP ASN GLY THR THR MET SEQRES 21 B 504 ASP TRP ASN GLU LEU PHE LYS TYR PRO GLY VAL TYR VAL SEQRES 22 B 504 GLU GLU ASP GLY SER PHE GLU VAL LYS ILE ARG SER PRO SEQRES 23 B 504 TYR HIS ARG THR PRO ALA ARG LEU LEU ALA GLY GLN SER SEQRES 24 B 504 GLN ARG ASP MET SER SER LEU ASN PHE TYR ALA ILE ALA SEQRES 25 B 504 GLY PRO ILE ALA PRO SER GLY GLU THR ALA GLN LEU PRO SEQRES 26 B 504 ILE VAL VAL GLN ILE ASP GLU ILE VAL ARG PRO ASP LEU SEQRES 27 B 504 SER LEU PRO SER PHE GLU ASP ASP TYR PHE VAL TRP VAL SEQRES 28 B 504 ASP PHE SER GLU PHE THR LEU ASP LYS GLU GLU ILE GLU SEQRES 29 B 504 ILE GLY SER ARG PHE PHE ASP PHE THR SER ASN THR CYS SEQRES 30 B 504 ARG VAL SER MET GLY GLU ASN PRO PHE ALA ALA MET ILE SEQRES 31 B 504 ALA CYS HIS GLY LEU HIS SER GLY VAL LEU ASP LEU LYS SEQRES 32 B 504 LEU GLN TRP SER LEU ASN THR GLU PHE GLY LYS SER SER SEQRES 33 B 504 GLY SER VAL THR ILE THR LYS LEU VAL GLY ASP LYS ALA SEQRES 34 B 504 MET GLY LEU ASP GLY PRO SER HIS VAL PHE ALA ILE GLN SEQRES 35 B 504 LYS LEU GLU GLY THR THR GLU LEU LEU VAL GLY ASN PHE SEQRES 36 B 504 ALA GLY ALA ASN PRO ASN THR ARG PHE SER LEU TYR SER SEQRES 37 B 504 ARG TRP MET ALA ILE LYS LEU ASP GLN ALA LYS SER ILE SEQRES 38 B 504 LYS VAL LEU ARG VAL LEU CYS LYS PRO ARG PRO GLY PHE SEQRES 39 B 504 SER PHE TYR GLY ARG THR SER PHE PRO VAL HELIX 1 1 GLY A 103 SER A 109 1 7 HELIX 2 2 SER A 114 TYR A 118 5 5 HELIX 3 3 ILE B 25 PHE B 32 1 8 HELIX 4 4 GLY B 34 GLY B 44 1 11 HELIX 5 5 SER B 78 ALA B 82 5 5 HELIX 6 6 ASP B 85 VAL B 92 1 8 HELIX 7 7 TYR B 110 CYS B 114 1 5 HELIX 8 8 ASN B 217 CYS B 225 1 9 HELIX 9 9 ASP B 261 TYR B 268 1 8 HELIX 10 10 ASN B 384 HIS B 393 1 10 HELIX 11 11 GLU B 411 SER B 415 5 5 HELIX 12 12 GLN B 442 LEU B 444 5 3 HELIX 13 13 GLN B 477 LYS B 479 5 3 SHEET 1 AA 2 LEU A 4 SER A 7 0 SHEET 2 AA 2 ALA A 21 ALA A 24 -1 O ALA A 21 N SER A 7 SHEET 1 AB 2 ALA A 34 ALA A 35 0 SHEET 2 AB 2 ALA A 50 ILE A 51 -1 O ILE A 51 N ALA A 34 SHEET 1 AC 2 PHE A 68 ASP A 73 0 SHEET 2 AC 2 ILE A 78 MET A 83 -1 O ILE A 78 N ASP A 73 SHEET 1 BA 4 LEU B 2 ILE B 10 0 SHEET 2 BA 4 TRP B 146 TYR B 153 -1 O TRP B 146 N ILE B 10 SHEET 3 BA 4 THR B 49 ARG B 55 -1 O LYS B 51 N TYR B 153 SHEET 4 BA 4 SER B 105 ASP B 109 -1 O CYS B 106 N ILE B 52 SHEET 1 BB 4 TYR B 19 ASN B 24 0 SHEET 2 BB 4 ARG B 129 THR B 136 -1 O LEU B 130 N LEU B 23 SHEET 3 BB 4 THR B 65 ASP B 71 -1 O THR B 65 N LEU B 135 SHEET 4 BB 4 HIS B 94 HIS B 98 -1 O TRP B 95 N MET B 68 SHEET 1 BC 5 LEU B 168 VAL B 169 0 SHEET 2 BC 5 SER B 495 TYR B 497 -1 N PHE B 496 O LEU B 168 SHEET 3 BC 5 LEU B 395 LEU B 404 -1 O LEU B 395 N TYR B 497 SHEET 4 BC 5 ILE B 481 PRO B 490 -1 O LEU B 487 N LYS B 403 SHEET 5 BC 5 SER B 407 LEU B 408 1 O SER B 407 N LYS B 482 SHEET 1 BD 4 LEU B 168 VAL B 169 0 SHEET 2 BD 4 SER B 495 TYR B 497 -1 N PHE B 496 O LEU B 168 SHEET 3 BD 4 LEU B 395 LEU B 404 -1 O LEU B 395 N TYR B 497 SHEET 4 BD 4 GLY B 446 VAL B 452 -1 O GLY B 446 N LEU B 404 SHEET 1 BE 2 PHE B 348 SER B 354 0 SHEET 2 BE 2 ILE B 481 PRO B 490 -1 O LEU B 484 N PHE B 353 SHEET 1 BF 4 LEU B 168 VAL B 169 0 SHEET 2 BF 4 SER B 495 TYR B 497 -1 N PHE B 496 O LEU B 168 SHEET 3 BF 4 LEU B 395 LEU B 404 -1 O LEU B 395 N TYR B 497 SHEET 4 BF 4 ASN B 459 PRO B 460 -1 O ASN B 459 N HIS B 396 SHEET 1 BG 2 SER B 407 LEU B 408 0 SHEET 2 BG 2 ILE B 481 PRO B 490 1 N LYS B 482 O SER B 407 SHEET 1 BH 5 LEU B 168 VAL B 169 0 SHEET 2 BH 5 SER B 495 TYR B 497 -1 N PHE B 496 O LEU B 168 SHEET 3 BH 5 LEU B 395 LEU B 404 -1 O LEU B 395 N TYR B 497 SHEET 4 BH 5 ILE B 481 PRO B 490 -1 O LEU B 487 N LYS B 403 SHEET 5 BH 5 PHE B 348 SER B 354 -1 O PHE B 348 N CYS B 488 SHEET 1 BI 4 ILE B 187 PHE B 189 0 SHEET 2 BI 4 LEU B 324 ILE B 333 -1 O LEU B 324 N PHE B 189 SHEET 3 BI 4 VAL B 233 ILE B 239 -1 O ARG B 234 N ASP B 331 SHEET 4 BI 4 SER B 278 VAL B 281 -1 O PHE B 279 N GLY B 235 SHEET 1 BJ 4 LEU B 197 SER B 199 0 SHEET 2 BJ 4 SER B 305 ILE B 315 -1 O PHE B 308 N ARG B 198 SHEET 3 BJ 4 SER B 246 GLU B 254 -1 O SER B 246 N ILE B 315 SHEET 4 BJ 4 VAL B 271 VAL B 273 -1 O VAL B 271 N VAL B 251 SHEET 1 BK 4 GLU B 361 GLU B 362 0 SHEET 2 BK 4 TRP B 470 LEU B 475 -1 O LEU B 475 N GLU B 361 SHEET 3 BK 4 SER B 418 LEU B 424 -1 O THR B 420 N LYS B 474 SHEET 4 BK 4 HIS B 437 ALA B 440 -1 O HIS B 437 N ILE B 421 SSBOND 1 CYS B 14 CYS B 134 1555 1555 2.03 CISPEP 1 ALA A 24 SER A 25 0 0.27 CISPEP 2 GLY A 26 ASP A 27 0 1.07 CISPEP 3 PHE A 29 SER A 30 0 -0.79 CISPEP 4 SER A 30 GLY A 31 0 -1.34 CISPEP 5 ASN A 52 SER A 53 0 -0.12 CISPEP 6 THR A 91 ALA A 92 0 -4.12 CISPEP 7 ALA A 101 ILE A 102 0 2.27 CISPEP 8 GLY B 211 THR B 212 0 -1.47 CISPEP 9 TRP B 255 ASN B 256 0 -3.34 CISPEP 10 GLY B 313 PRO B 314 0 -7.46 CISPEP 11 SER B 318 GLY B 319 0 -4.89 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000