HEADER PRELIMINARY 22-JUN-92 P1OFV COMPND OXIDIZED FLAVODOXIN SOURCE ANACYSTIS NIDULANS EXPDTA X-RAY AUTHOR W.W.SMITH,K.A.PATTRIDGE,C.L.LUSCHINSKY,M.L.LUDWIG REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.7 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM PROLSQ REMARK 3 AUTHORS HENDRICKSON AND KONNERT REMARK 3 R VALUE 0.190 REMARK 4 REMARK 4 ********************************************************** REMARK 4 * * REMARK 4 * NOTE: * REMARK 4 * THIS IS A "PRE-RELEASE" ENTRY. THE OBJECTIVE OF * REMARK 4 * THE PRE-RELEASE IS TO MAKE PENDING ENTRIES * REMARK 4 * AVAILABLE TO THE SCIENTIFIC COMMUNITY AS SOON AS * REMARK 4 * POSSIBLE. INFORMATION THAT UNIQUELY IDENTIFIES * REMARK 4 * THE COORDINATE SET HAS BEEN PROVIDED. ALL OTHER * REMARK 4 * DETAILS WILL BE PROVIDED WHEN THE STANDARD * REMARK 4 * RELEASE ENTRY BECOMES AVAILABLE. * REMARK 4 * * REMARK 4 * THIS ENTRY MAY NOT FULLY CONFORM TO THE * REMARK 4 * SPECIFICATIONS GIVEN IN THE PROTEIN DATA BANK * REMARK 4 * ATOMIC COORDINATE AND BIBLIOGRAPHIC ENTRY FORMAT * REMARK 4 * DESCRIPTION. * REMARK 4 * * REMARK 4 * RESIDUE AND ATOM NAMES FOR HETEROGENS MAY NOT * REMARK 4 * BE IN THE PROTEIN DATA BANK STANDARD FORMAT. * REMARK 4 * CHANGES TO THESE NAMES MAY THEREFORE OCCUR WHEN * REMARK 4 * THE STANDARD RELEASE ENTRY BECOMES AVAILABLE. * REMARK 4 * * REMARK 4 * THE FOLLOWING CHECKS HAVE BEEN MADE: * REMARK 4 * * REMARK 4 * 1. AMINO ACID SEQUENCE COMPARED TO THE * REMARK 4 * NON-REDUNDANT SEQUENCE DATABASE USING THE * REMARK 4 * GENINFO - GENETIC COMPUTING ENVIRONMENT * REMARK 4 * (NATIONAL CENTER FOR BIOTECHNOLOGY * REMARK 4 * INFORMATION, NATIONAL LIBRARY OF MEDICINE) * REMARK 4 * 2. STEREOCHEMISTRY * REMARK 4 * BOND DISTANCES AND ANGLES * REMARK 4 * DISTORTIONS OF PLANAR GROUPS * REMARK 4 * RAMACHANDRAN PLOT * REMARK 4 * 3. CRYSTAL PACKING * REMARK 4 * * REMARK 4 * A VISUAL CHECK OF THE ENTRY HAS BEEN MADE USING * REMARK 4 * MIDASPLUS (COMPUTER GRAPHICS LABORATORY, * REMARK 4 * UNIVERSITY OF CALIFORNIA, SAN FRANCISCO). * REMARK 4 * * REMARK 4 ********************************************************** REMARK 5 REMARK 5 THE SIDE CHAINS OF THE FOLLOWING RESIDUES HAVE MULTIPLE REMARK 5 CONFORMATIONS: SER 165 SEQRES 1 169 ALA LYS ILE GLY LEU PHE TYR GLY THR GLN THR GLY VAL SEQRES 2 169 THR GLN THR ILE ALA GLU SER ILE GLN GLN GLU PHE GLY SEQRES 3 169 GLY GLU SER ILE VAL ASP LEU ASN ASP ILE ALA ASN ALA SEQRES 4 169 ASP ALA SER ASP LEU ASN ALA TYR ASP TYR LEU ILE ILE SEQRES 5 169 GLY CYS PRO THR TRP ASN VAL GLY GLU LEU GLN SER ASP SEQRES 6 169 TRP GLU GLY ILE TYR ASP ASP LEU ASP SER VAL ASN PHE SEQRES 7 169 GLN GLY LYS LYS VAL ALA TYR PHE GLY ALA GLY ASP GLN SEQRES 8 169 VAL GLY TYR SER ASP ASN PHE GLN ASP ALA MET GLY ILE SEQRES 9 169 LEU GLU GLU LYS ILE SER SER LEU GLY SER GLN THR VAL SEQRES 10 169 GLY TYR TRP PRO ILE GLU GLY TYR ASP PHE ASN GLU SER SEQRES 11 169 LYS ALA VAL ARG ASN ASN GLN PHE VAL GLY LEU ALA ILE SEQRES 12 169 ASP GLU ASP ASN GLN PRO ASP LEU THR LYS ASN ARG ILE SEQRES 13 169 LYS THR TRP VAL SER GLN LEU LYS SER GLU PHE GLY LEU CRYST1 57.080 69.240 45.550 90.00 90.00 90.00 P 21 21 21 4 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 0.017519 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014442 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021954 0.00000