HEADER MEMBRANE PROTEIN 08-AUG-24 9J3J TITLE ARABIDOPSIS ATP/ADP TRANSLOCATOR ATNTT1 COMPND MOL_ID: 1; COMPND 2 MOLECULE: ADP,ATP CARRIER PROTEIN 1, CHLOROPLASTIC; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ADP/ATP TRANSLOCASE 1,ADENINE NUCLEOTIDE TRANSLOCASE 1; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: NANOBODY: B-C8; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; SOURCE 3 ORGANISM_COMMON: MOUSE-EAR CRESS; SOURCE 4 ORGANISM_TAXID: 3702; SOURCE 5 GENE: AATP1, AT1G80300, F5I6.5; SOURCE 6 EXPRESSION_SYSTEM: HOMO SAPIENS; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 9606; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: VICUGNA PACOS; SOURCE 10 ORGANISM_TAXID: 30538; SOURCE 11 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 12 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ATP/ADP TRANSLOCATOR;NON-MITOCHONDRIAL;ANTIPORTER, MEMBRANE PROTEIN EXPDTA ELECTRON MICROSCOPY AUTHOR H.J.LIN,J.HUANG,T.M.LI,W.J.LI,N.N.SU,J.R.ZHANG,X.D.WU,M.R.FAN REVDAT 1 19-MAR-25 9J3J 0 JRNL AUTH H.J.LIN,J.HUANG,T.M.LI,W.J.LI,N.N.SU,J.R.ZHANG,X.D.WU, JRNL AUTH 2 M.R.FAN JRNL TITL STRUCTURE AND MECHANISM OF THE PLASTID/PARASITE ATP/ADP JRNL TITL 2 TRANSLOCATOR JRNL REF NATURE 2025 JRNL REFN ESSN 1476-4687 REMARK 2 REMARK 2 RESOLUTION. 2.83 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 SOFTWARE PACKAGES : NULL REMARK 3 RECONSTRUCTION SCHEMA : NULL REMARK 3 REMARK 3 EM MAP-MODEL FITTING AND REFINEMENT REMARK 3 PDB ENTRY : NULL REMARK 3 REFINEMENT SPACE : NULL REMARK 3 REFINEMENT PROTOCOL : NULL REMARK 3 REFINEMENT TARGET : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE : NULL REMARK 3 REMARK 3 FITTING PROCEDURE : NULL REMARK 3 REMARK 3 EM IMAGE RECONSTRUCTION STATISTICS REMARK 3 NOMINAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 ACTUAL PIXEL SIZE (ANGSTROMS) : NULL REMARK 3 EFFECTIVE RESOLUTION (ANGSTROMS) : 2.830 REMARK 3 NUMBER OF PARTICLES : 405184 REMARK 3 CTF CORRECTION METHOD : PHASE FLIPPING AND AMPLITUDE REMARK 3 CORRECTION REMARK 3 REMARK 3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL REMARK 3 REMARK 3 OTHER DETAILS: NULL REMARK 4 REMARK 4 9J3J COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBC ON 14-AUG-24. REMARK 100 THE DEPOSITION ID IS D_1300049905. REMARK 245 REMARK 245 EXPERIMENTAL DETAILS REMARK 245 RECONSTRUCTION METHOD : SINGLE PARTICLE REMARK 245 SPECIMEN TYPE : NULL REMARK 245 REMARK 245 ELECTRON MICROSCOPE SAMPLE REMARK 245 SAMPLE TYPE : PARTICLE REMARK 245 PARTICLE TYPE : POINT REMARK 245 NAME OF SAMPLE : ARABIDOPSIS ATP/ADP REMARK 245 TRANSLOCATOR ATNTT1 REMARK 245 SAMPLE CONCENTRATION (MG ML-1) : NULL REMARK 245 SAMPLE SUPPORT DETAILS : NULL REMARK 245 SAMPLE VITRIFICATION DETAILS : NULL REMARK 245 SAMPLE BUFFER : NULL REMARK 245 PH : 7.40 REMARK 245 SAMPLE DETAILS : NULL REMARK 245 REMARK 245 DATA ACQUISITION REMARK 245 DATE OF EXPERIMENT : NULL REMARK 245 NUMBER OF MICROGRAPHS-IMAGES : NULL REMARK 245 TEMPERATURE (KELVIN) : NULL REMARK 245 MICROSCOPE MODEL : FEI TITAN KRIOS REMARK 245 DETECTOR TYPE : GATAN K3 (6K X 4K) REMARK 245 MINIMUM DEFOCUS (NM) : 800.00 REMARK 245 MAXIMUM DEFOCUS (NM) : 1600.00 REMARK 245 MINIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 MAXIMUM TILT ANGLE (DEGREES) : NULL REMARK 245 NOMINAL CS : NULL REMARK 245 IMAGING MODE : DIFFRACTION REMARK 245 ELECTRON DOSE (ELECTRONS NM**-2) : 5200.00 REMARK 245 ILLUMINATION MODE : FLOOD BEAM REMARK 245 NOMINAL MAGNIFICATION : 130000 REMARK 245 CALIBRATED MAGNIFICATION : NULL 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 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA 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 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 MET A 86 REMARK 465 ALA A 87 REMARK 465 GLY A 88 REMARK 465 ALA A 89 REMARK 465 VAL A 90 REMARK 465 PHE A 91 REMARK 465 GLY A 92 REMARK 465 GLU A 93 REMARK 465 GLY A 94 REMARK 465 ASP A 95 REMARK 465 SER A 96 REMARK 465 ALA A 97 REMARK 465 ALA A 98 REMARK 465 VAL A 99 REMARK 465 VAL A 100 REMARK 465 SER A 591 REMARK 465 SER A 592 REMARK 465 VAL A 593 REMARK 465 LYS A 594 REMARK 465 ILE A 595 REMARK 465 PRO A 596 REMARK 465 VAL A 597 REMARK 465 VAL A 598 REMARK 465 SER A 599 REMARK 465 GLN A 600 REMARK 465 ASP A 601 REMARK 465 GLU A 602 REMARK 465 SER A 603 REMARK 465 GLY A 604 REMARK 465 ASN A 605 REMARK 465 GLY A 606 REMARK 465 SER A 607 REMARK 465 LEU A 608 REMARK 465 GLY A 609 REMARK 465 GLU A 610 REMARK 465 SER A 611 REMARK 465 PRO A 612 REMARK 465 SER A 613 REMARK 465 SER A 614 REMARK 465 SER A 615 REMARK 465 PRO A 616 REMARK 465 GLU A 617 REMARK 465 LYS A 618 REMARK 465 SER A 619 REMARK 465 ALA A 620 REMARK 465 PRO A 621 REMARK 465 THR A 622 REMARK 465 ASN A 623 REMARK 465 LEU A 624 REMARK 465 VAL A 625 REMARK 465 ASP A 626 REMARK 465 GLU A 627 REMARK 465 LEU A 628 REMARK 465 THR A 629 REMARK 465 SER A 630 REMARK 465 ARG A 631 REMARK 465 GLY A 632 REMARK 465 ARG A 633 REMARK 465 GLY A 634 REMARK 465 SER A 635 REMARK 465 GLY A 636 REMARK 465 GLY A 637 REMARK 465 LEU A 638 REMARK 465 ASN A 639 REMARK 465 ASP A 640 REMARK 465 ILE A 641 REMARK 465 PHE A 642 REMARK 465 GLU A 643 REMARK 465 ALA A 644 REMARK 465 GLN A 645 REMARK 465 LYS A 646 REMARK 465 ILE A 647 REMARK 465 GLU A 648 REMARK 465 TRP A 649 REMARK 465 HIS A 650 REMARK 465 GLU A 651 REMARK 465 GLY A 652 REMARK 465 SER A 653 REMARK 465 GLY A 654 REMARK 465 LEU A 655 REMARK 465 GLU A 656 REMARK 465 VAL A 657 REMARK 465 LEU A 658 REMARK 465 PHE A 659 REMARK 465 GLN A 660 REMARK 465 GLY A 661 REMARK 465 PRO A 662 REMARK 465 ASP A 663 REMARK 465 TYR A 664 REMARK 465 LYS A 665 REMARK 465 ASP A 666 REMARK 465 ASP A 667 REMARK 465 ASP A 668 REMARK 465 ASP A 669 REMARK 465 LYS A 670 REMARK 465 TRP A 671 REMARK 465 SER A 672 REMARK 465 HIS A 673 REMARK 465 PRO A 674 REMARK 465 GLN A 675 REMARK 465 PHE A 676 REMARK 465 GLU A 677 REMARK 465 LYS A 678 REMARK 465 GLY A 679 REMARK 465 GLY A 680 REMARK 465 GLY A 681 REMARK 465 GLY A 682 REMARK 465 SER A 683 REMARK 465 GLY A 684 REMARK 465 GLY A 685 REMARK 465 SER A 686 REMARK 465 ALA A 687 REMARK 465 TRP A 688 REMARK 465 SER A 689 REMARK 465 HIS A 690 REMARK 465 PRO A 691 REMARK 465 GLN A 692 REMARK 465 PHE A 693 REMARK 465 GLU A 694 REMARK 465 LYS A 695 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 GLU A 150 30.16 -95.23 REMARK 500 VAL A 201 -53.68 -125.51 REMARK 500 LEU A 205 51.24 -95.83 REMARK 500 ALA A 215 45.28 -88.95 REMARK 500 ASP A 216 -36.90 -131.96 REMARK 500 SER A 254 -61.82 -95.22 REMARK 500 ARG A 343 179.86 176.94 REMARK 500 TYR B 107 -12.02 72.19 REMARK 500 SER B 120 52.99 -94.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EMD-61117 RELATED DB: EMDB REMARK 900 ARABIDOPSIS ATP/ADP TRANSLOCATOR ATNTT1 DBREF 9J3J A 88 624 UNP Q39002 TLC1_ARATH 88 624 DBREF 9J3J B 1 122 PDB 9J3J 9J3J 1 122 SEQADV 9J3J MET A 86 UNP Q39002 INITIATING METHIONINE SEQADV 9J3J ALA A 87 UNP Q39002 EXPRESSION TAG SEQADV 9J3J VAL A 625 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ASP A 626 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLU A 627 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LEU A 628 UNP Q39002 EXPRESSION TAG SEQADV 9J3J THR A 629 UNP Q39002 EXPRESSION TAG SEQADV 9J3J SER A 630 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ARG A 631 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 632 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ARG A 633 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 634 UNP Q39002 EXPRESSION TAG SEQADV 9J3J SER A 635 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 636 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 637 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LEU A 638 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ASN A 639 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ASP A 640 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ILE A 641 UNP Q39002 EXPRESSION TAG SEQADV 9J3J PHE A 642 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLU A 643 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ALA A 644 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLN A 645 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LYS A 646 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ILE A 647 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLU A 648 UNP Q39002 EXPRESSION TAG SEQADV 9J3J TRP A 649 UNP Q39002 EXPRESSION TAG SEQADV 9J3J HIS A 650 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLU A 651 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 652 UNP Q39002 EXPRESSION TAG SEQADV 9J3J SER A 653 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 654 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LEU A 655 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLU A 656 UNP Q39002 EXPRESSION TAG SEQADV 9J3J VAL A 657 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LEU A 658 UNP Q39002 EXPRESSION TAG SEQADV 9J3J PHE A 659 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLN A 660 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 661 UNP Q39002 EXPRESSION TAG SEQADV 9J3J PRO A 662 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ASP A 663 UNP Q39002 EXPRESSION TAG SEQADV 9J3J TYR A 664 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LYS A 665 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ASP A 666 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ASP A 667 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ASP A 668 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ASP A 669 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LYS A 670 UNP Q39002 EXPRESSION TAG SEQADV 9J3J TRP A 671 UNP Q39002 EXPRESSION TAG SEQADV 9J3J SER A 672 UNP Q39002 EXPRESSION TAG SEQADV 9J3J HIS A 673 UNP Q39002 EXPRESSION TAG SEQADV 9J3J PRO A 674 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLN A 675 UNP Q39002 EXPRESSION TAG SEQADV 9J3J PHE A 676 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLU A 677 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LYS A 678 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 679 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 680 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 681 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 682 UNP Q39002 EXPRESSION TAG SEQADV 9J3J SER A 683 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 684 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLY A 685 UNP Q39002 EXPRESSION TAG SEQADV 9J3J SER A 686 UNP Q39002 EXPRESSION TAG SEQADV 9J3J ALA A 687 UNP Q39002 EXPRESSION TAG SEQADV 9J3J TRP A 688 UNP Q39002 EXPRESSION TAG SEQADV 9J3J SER A 689 UNP Q39002 EXPRESSION TAG SEQADV 9J3J HIS A 690 UNP Q39002 EXPRESSION TAG SEQADV 9J3J PRO A 691 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLN A 692 UNP Q39002 EXPRESSION TAG SEQADV 9J3J PHE A 693 UNP Q39002 EXPRESSION TAG SEQADV 9J3J GLU A 694 UNP Q39002 EXPRESSION TAG SEQADV 9J3J LYS A 695 UNP Q39002 EXPRESSION TAG SEQRES 1 A 610 MET ALA GLY ALA VAL PHE GLY GLU GLY ASP SER ALA ALA SEQRES 2 A 610 VAL VAL ALA SER PRO LYS ILE PHE GLY VAL GLU VAL ALA SEQRES 3 A 610 THR LEU LYS LYS ILE ILE PRO LEU GLY LEU MET PHE PHE SEQRES 4 A 610 CYS ILE LEU PHE ASN TYR THR ILE LEU ARG ASP THR LYS SEQRES 5 A 610 ASP VAL LEU VAL VAL THR ALA LYS GLY SER SER ALA GLU SEQRES 6 A 610 ILE ILE PRO PHE LEU LYS THR TRP VAL ASN LEU PRO MET SEQRES 7 A 610 ALA ILE GLY PHE MET LEU LEU TYR THR LYS LEU SER ASN SEQRES 8 A 610 VAL LEU SER LYS LYS ALA LEU PHE TYR THR VAL ILE VAL SEQRES 9 A 610 PRO PHE ILE ILE TYR PHE GLY ALA PHE GLY PHE VAL MET SEQRES 10 A 610 TYR PRO LEU SER ASN TYR ILE HIS PRO GLU ALA LEU ALA SEQRES 11 A 610 ASP LYS LEU LEU THR THR LEU GLY PRO ARG PHE MET GLY SEQRES 12 A 610 PRO ILE ALA ILE LEU ARG ILE TRP SER PHE CYS LEU PHE SEQRES 13 A 610 TYR VAL MET ALA GLU LEU TRP GLY SER VAL VAL VAL SER SEQRES 14 A 610 VAL LEU PHE TRP GLY PHE ALA ASN GLN ILE THR THR VAL SEQRES 15 A 610 ASP GLU ALA LYS LYS PHE TYR PRO LEU PHE GLY LEU GLY SEQRES 16 A 610 ALA ASN VAL ALA LEU ILE PHE SER GLY ARG THR VAL LYS SEQRES 17 A 610 TYR PHE SER ASN LEU ARG LYS ASN LEU GLY PRO GLY VAL SEQRES 18 A 610 ASP GLY TRP ALA VAL SER LEU LYS ALA MET MET SER ILE SEQRES 19 A 610 VAL VAL GLY MET GLY LEU ALA ILE CYS LEU LEU TYR TRP SEQRES 20 A 610 TRP VAL ASN ARG TYR VAL PRO LEU PRO THR ARG SER LYS SEQRES 21 A 610 ASN LYS LYS GLU LYS PRO LYS MET GLY THR MET GLU SER SEQRES 22 A 610 LEU LYS PHE LEU VAL SER SER PRO TYR ILE ARG ASP LEU SEQRES 23 A 610 ALA THR LEU VAL VAL ALA TYR GLY ILE SER ILE ASN LEU SEQRES 24 A 610 VAL GLU VAL THR TRP LYS SER LYS LEU LYS ALA GLN PHE SEQRES 25 A 610 PRO SER PRO ASN GLU TYR SER ALA PHE MET GLY ASP PHE SEQRES 26 A 610 SER THR CYS THR GLY VAL ALA THR PHE THR MET MET LEU SEQRES 27 A 610 LEU SER GLN TYR VAL PHE ASN LYS TYR GLY TRP GLY VAL SEQRES 28 A 610 ALA ALA LYS ILE THR PRO THR VAL LEU LEU LEU THR GLY SEQRES 29 A 610 VAL ALA PHE PHE SER LEU ILE LEU PHE GLY GLY PRO PHE SEQRES 30 A 610 ALA PRO LEU VAL ALA LYS LEU GLY MET THR PRO LEU LEU SEQRES 31 A 610 ALA ALA VAL TYR VAL GLY ALA LEU GLN ASN ILE PHE SER SEQRES 32 A 610 LYS SER ALA LYS TYR SER LEU PHE ASP PRO CYS LYS GLU SEQRES 33 A 610 MET ALA TYR ILE PRO LEU ASP GLU ASP THR LYS VAL LYS SEQRES 34 A 610 GLY LYS ALA ALA ILE ASP VAL VAL CYS ASN PRO LEU GLY SEQRES 35 A 610 LYS SER GLY GLY ALA LEU ILE GLN GLN PHE MET ILE LEU SEQRES 36 A 610 SER PHE GLY SER LEU ALA ASN SER THR PRO TYR LEU GLY SEQRES 37 A 610 MET ILE LEU LEU VAL ILE VAL THR ALA TRP LEU ALA ALA SEQRES 38 A 610 ALA LYS SER LEU GLU GLY GLN PHE ASN SER LEU ARG SER SEQRES 39 A 610 GLU GLU GLU LEU GLU LYS GLU MET GLU ARG ALA SER SER SEQRES 40 A 610 VAL LYS ILE PRO VAL VAL SER GLN ASP GLU SER GLY ASN SEQRES 41 A 610 GLY SER LEU GLY GLU SER PRO SER SER SER PRO GLU LYS SEQRES 42 A 610 SER ALA PRO THR ASN LEU VAL ASP GLU LEU THR SER ARG SEQRES 43 A 610 GLY ARG GLY SER GLY GLY LEU ASN ASP ILE PHE GLU ALA SEQRES 44 A 610 GLN LYS ILE GLU TRP HIS GLU GLY SER GLY LEU GLU VAL SEQRES 45 A 610 LEU PHE GLN GLY PRO ASP TYR LYS ASP ASP ASP ASP LYS SEQRES 46 A 610 TRP SER HIS PRO GLN PHE GLU LYS GLY GLY GLY GLY SER SEQRES 47 A 610 GLY GLY SER ALA TRP SER HIS PRO GLN PHE GLU LYS SEQRES 1 B 122 GLU VAL GLN LEU VAL GLU SER GLY GLY GLY LEU VAL GLN SEQRES 2 B 122 ALA GLY GLY SER LEU ARG LEU SER CYS ALA ALA SER GLY SEQRES 3 B 122 PHE PRO VAL THR GLU HIS GLU MET TYR TRP TYR ARG GLN SEQRES 4 B 122 ALA PRO GLY LYS GLU ARG GLU TRP VAL ALA ALA ILE ASP SEQRES 5 B 122 SER TYR GLY TYR THR GLU TYR ALA ASP SER VAL LYS GLY SEQRES 6 B 122 ARG PHE THR ILE SER ARG ASP ASN SER LYS ASN THR VAL SEQRES 7 B 122 TYR LEU GLN MET ASN SER LEU LYS PRO GLU ASP THR ALA SEQRES 8 B 122 VAL TYR TYR CYS ASN VAL LYS ASP LEU GLY ALA TRP TYR SEQRES 9 B 122 ASN ASP TYR ASP TYR TRP GLY GLN GLY THR GLN VAL THR SEQRES 10 B 122 VAL SER SER LEU GLU HELIX 1 AA1 VAL A 110 VAL A 142 1 33 HELIX 2 AA2 GLU A 150 TRP A 158 1 9 HELIX 3 AA3 VAL A 159 LEU A 178 1 20 HELIX 4 AA4 SER A 179 VAL A 201 1 23 HELIX 5 AA5 LEU A 205 HIS A 210 1 6 HELIX 6 AA6 ASP A 216 LEU A 222 1 7 HELIX 7 AA7 GLY A 223 ARG A 225 5 3 HELIX 8 AA8 PHE A 226 ILE A 235 1 10 HELIX 9 AA9 ILE A 235 VAL A 252 1 18 HELIX 10 AB1 SER A 254 THR A 265 1 12 HELIX 11 AB2 THR A 266 TYR A 274 1 9 HELIX 12 AB3 TYR A 274 LEU A 302 1 29 HELIX 13 AB4 ASP A 307 VAL A 338 1 32 HELIX 14 AB5 SER A 344 LYS A 348 5 5 HELIX 15 AB6 MET A 356 SER A 364 1 9 HELIX 16 AB7 SER A 365 PHE A 397 1 33 HELIX 17 AB8 SER A 399 TYR A 432 1 34 HELIX 18 AB9 GLY A 433 PHE A 458 1 26 HELIX 19 AC1 PHE A 458 LYS A 468 1 11 HELIX 20 AC2 THR A 472 ALA A 491 1 20 HELIX 21 AC3 LEU A 495 ALA A 503 1 9 HELIX 22 AC4 ASP A 508 VAL A 521 1 14 HELIX 23 AC5 VAL A 522 GLY A 543 1 22 HELIX 24 AC6 SER A 548 ALA A 590 1 43 HELIX 25 AC7 LYS B 86 THR B 90 5 5 SHEET 1 AA1 2 LYS A 104 ILE A 105 0 SHEET 2 AA1 2 VAL A 108 GLU A 109 -1 O VAL A 108 N ILE A 105 SHEET 1 AA2 4 GLN B 3 SER B 7 0 SHEET 2 AA2 4 LEU B 18 SER B 25 -1 O ALA B 23 N VAL B 5 SHEET 3 AA2 4 THR B 77 MET B 82 -1 O LEU B 80 N LEU B 20 SHEET 4 AA2 4 PHE B 67 ASP B 72 -1 N ASP B 72 O THR B 77 SHEET 1 AA3 6 LEU B 11 GLN B 13 0 SHEET 2 AA3 6 THR B 114 SER B 119 1 O THR B 117 N VAL B 12 SHEET 3 AA3 6 ALA B 91 LYS B 98 -1 N TYR B 93 O THR B 114 SHEET 4 AA3 6 MET B 34 GLN B 39 -1 N GLN B 39 O VAL B 92 SHEET 5 AA3 6 GLU B 46 ILE B 51 -1 O VAL B 48 N TRP B 36 SHEET 6 AA3 6 GLU B 58 TYR B 59 -1 O GLU B 58 N ALA B 50 SHEET 1 AA4 4 LEU B 11 GLN B 13 0 SHEET 2 AA4 4 THR B 114 SER B 119 1 O THR B 117 N VAL B 12 SHEET 3 AA4 4 ALA B 91 LYS B 98 -1 N TYR B 93 O THR B 114 SHEET 4 AA4 4 ASP B 108 TRP B 110 -1 O TYR B 109 N VAL B 97 SSBOND 1 CYS B 22 CYS B 95 1555 1555 2.03 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