REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE OF THE COMPLEX WAS REMARK 3 DETERMINED ALLOWING THE ANTIBODY CDR RESIDUES AND THE REMARK 3 COMPLEXED V3 PEPTIDE RESIDUES TO MOVE, WHILE THE ANTIBODY REMARK 3 FRAMEWORK WAS HELD FIXED DURING REFINEMENT AND MODELED AS REMARK 3 DESCRIBED PREVIOUSLY REMARK 4 REMARK 4 1QNZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 26-OCT-99. REMARK 100 THE PDBE ID CODE IS EBI-4315. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305 REMARK 210 PH : 7.15 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 800; 600 REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRDRAW, NMRVIEW, REMARK 210 XPLOR 3.8 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : NULL REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE OF THE COMPLEX WAS DETERMINED BY REMARK 210 ALLOWING THE CDRS OF THE 0.5B ANTIBODY AND THE V3 PEPTIDE REMARK 210 RESIDUES TO MOVE WHILE THE FRAMEWORK OF THE ANTIBODY WAS REMARK 210 MODELED AS DESCRIBED. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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 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 ALA H 121 76.14 -100.78 REMARK 500 PHE H 141 -76.07 72.12 REMARK 500 ARG H 197 55.51 38.44 REMARK 500 ASP H 201 37.00 -88.85 REMARK 500 ALA H 215 30.99 -92.73 REMARK 500 TYR H 216 -51.73 -121.63 REMARK 500 PRO L 8 106.39 -35.29 REMARK 500 TYR L 31 -165.89 -124.26 REMARK 500 TYR L 36 74.69 -107.59 REMARK 500 GLN L 41 77.31 -117.13 REMARK 500 PRO L 48 109.71 -59.69 REMARK 500 ALA L 55 -65.14 82.29 REMARK 500 ALA L 64 39.92 -86.44 REMARK 500 PHE L 66 79.80 -100.20 REMARK 500 ARG L 72 -82.51 68.65 REMARK 500 ASP L 86 32.05 -90.54 REMARK 500 LYS L 107 93.80 -67.47 REMARK 500 REMARK 500 REMARK: NULL