HEADER PRELIMINARY 23-DEC-91 P1GKY COMPND GUANYLATE KINASE (E.C.2.7.4.8) COMPLEX WITH COMPND 2 /ATP:GMP$-PHOSPHOTRANSFERASE SOURCE BAKER'S YEAST (SACCHAROMYCES $CEREVISIAE) AUTHOR T.STEHLE,G.E.SCHULZ REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH T.STEHLE,G.E.SCHULZ REMARK 1 TITL REFINED STRUCTURE OF THE COMPLEX BETWEEN GUANYLATE REMARK 1 TITL 2 KINASE AND ITS SUBSTRATE /GMP$ AT 2.0 ANGSTROMS REMARK 1 TITL 3 RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 224 1127 1992 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 REMARK 1 REFERENCE 2 REMARK 1 AUTH T.STEHLE,G.E.SCHULZ REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX OF REMARK 1 TITL 2 GUANYLATE KINASE FROM YEAST WITH ITS SUBSTRATE REMARK 1 TITL 3 /GMP$ REMARK 1 REF J.MOL.BIOL. V. 211 249 1990 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 070 REMARK 1 REFERENCE 3 REMARK 1 AUTH A.BERGER,E.SCHILTZ,G.E.SCHULZ REMARK 1 TITL GUANYLATE KINASE FROM SACCHAROMYCES CEREVISIAE. REMARK 1 TITL 2 ISOLATION AND CHARACTERIZATION, CRYSTALLIZATION AND REMARK 1 TITL 3 PRELIMINARY X-RAY ANALYSIS, AMINO ACID SEQUENCE AND REMARK 1 TITL 4 COMPARISON WITH ADENYLATE KINASES REMARK 1 REF EUR.J.BIOCHEM. V. 184 433 1989 REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 262 REMARK 2 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM SIMULATED ANNEALING METHOD REMARK 3 AUTHORS BRUENGER REMARK 3 R VALUE 0.173 REMARK 3 RMSD BOND DISTANCES 0.016 ANGSTROMS REMARK 3 RMSD BOND ANGLE 3.00 DEGREES 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 ********************************************************** SEQRES 1 187 ACE SER ARG PRO ILE VAL ILE SER GLY PRO SER GLY THR SEQRES 2 187 GLY LYS SER THR LEU LEU LYS LYS LEU PHE ALA GLU TYR SEQRES 3 187 PRO ASP SER PHE GLY PHE SER VAL SER SER THR THR ARG SEQRES 4 187 THR PRO ARG ALA GLY GLU VAL ASN GLY LYS ASP TYR ASN SEQRES 5 187 PHE VAL SER VAL ASP GLU PHE LYS SER MET ILE LYS ASN SEQRES 6 187 ASN GLU PHE ILE GLU TRP ALA GLN PHE SER GLY ASN TYR SEQRES 7 187 TYR GLY SER THR VAL ALA SER VAL LYS GLN VAL SER LYS SEQRES 8 187 SER GLY LYS THR CYS ILE LEU ASP ILE ASP MET GLN GLY SEQRES 9 187 VAL LYS SER VAL LYS ALA ILE PRO GLU LEU ASN ALA ARG SEQRES 10 187 PHE LEU PHE ILE ALA PRO PRO SER VAL GLU ASP LEU LYS SEQRES 11 187 LYS ARG LEU GLU GLY ARG GLY THR GLU THR GLU GLU SER SEQRES 12 187 ILE ASN LYS ARG LEU SER ALA ALA GLN ALA GLU LEU ALA SEQRES 13 187 TYR ALA GLU THR GLY ALA HIS ASP LYS VAL ILE VAL ASN SEQRES 14 187 ASP ASP LEU ASP LYS ALA TYR LYS GLU LEU LYS ASP PHE SEQRES 15 187 ILE PHE ALA GLU LYS CRYST1 50.800 50.800 155.300 90.00 90.00 90.00 P 43 21 2 8 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 0.019685 0.000000 0.000000 0.00000 SCALE2 0.000000 0.019685 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006439 0.00000