HEADER PRELIMINARY 07-SEP-91 P1TRB COMPND THIOREDOXIN REDUCTASE /NADPH$: OXIDIZED-THIOREDOXIN COMPND 2 OXIDOREDUCTASE E.C.1.6.4.- SOURCE (ESCHERICHIA $COLI) AUTHOR J.KURIYAN,T.S.R.KRISHNA REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.KURIYAN,T.S.R.KRISHNA,L.WONG,B.GUENTHER,A.PAHLER, REMARK 1 AUTH 2 C.H.WILLIAMS *JUNIOR,P.MODEL REMARK 1 TITL CONVERGENT EVOLUTION OF SIMILAR FUNCTION IN TWO REMARK 1 TITL 2 STRUCTURALLY DIVERGENT ENZYMES REMARK 1 REF NATURE V. 352 172 1991 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 006 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.KURIYAN,L.WONG,M.RUSSEL,P.MODEL REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY REMARK 1 TITL 2 CHARACTERIZATION OF THIOREDOXIN REDUCTASE FROM REMARK 1 TITL 3 ESCHERICHIA COLI REMARK 1 REF J.BIOL.CHEM. V. 264 12752 1989 REMARK 1 REFN ASTM JBCHA3 US ISSN 0021-9258 071 REMARK 2 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM XPLOR REMARK 3 AUTHORS BRUNGER REMARK 3 R VALUE 0.177 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 1 321 MET GLY THR THR LYS HIS SER LYS LEU LEU ILE LEU GLY SEQRES 2 321 SER GLY PRO ALA GLY TYR THR ALA ALA VAL TYR ALA ALA SEQRES 3 321 ARG ALA ASN LEU GLN PRO VAL LEU ILE THR GLY MET GLU SEQRES 4 321 LYS GLY GLY GLN LEU THR THR THR THR GLU VAL GLU ASN SEQRES 5 321 TRP PRO GLY ASP PRO ASN ASP LEU THR GLY PRO LEU LEU SEQRES 6 321 MET GLU ARG MET HIS GLU HIS ALA THR LYS PHE GLU THR SEQRES 7 321 GLU ILE ILE PHE ASP HIS ILE ASN LYS VAL ASP LEU GLN SEQRES 8 321 ASN ARG PRO PHE ARG LEU ASN GLY ASP ASN GLY GLU TYR SEQRES 9 321 THR CYS ASP ALA LEU ILE ILE ALA THR GLY ALA SER ALA SEQRES 10 321 ARG TYR LEU GLY LEU PRO SER GLU GLU ALA PHE LYS GLY SEQRES 11 321 ARG GLY VAL SER ALA CYS ALA THR SER ASP GLY PHE PHE SEQRES 12 321 TYR ARG ASN GLN LYS VAL ALA VAL ILE GLY GLY GLY ASN SEQRES 13 321 THR ALA VAL GLU GLU ALA LEU TYR LEU SER ASN ILE ALA SEQRES 14 321 SER GLU VAL HIS LEU ILE HIS ARG ARG ASP GLY PHE ARG SEQRES 15 321 ALA GLU LYS ILE LEU ILE LYS ARG LEU MET ASP LYS VAL SEQRES 16 321 GLU ASN GLY ASN ILE ILE LEU HIS THR ASN ARG THR LEU SEQRES 17 321 GLU GLU VAL THR GLY ASP GLN MET GLY VAL THR GLY VAL SEQRES 18 321 ARG LEU ARG ASP THR GLN ASN SER ASP ASN ILE GLU SER SEQRES 19 321 LEU ASP VAL ALA GLY LEU PHE VAL ALA ILE GLY HIS SER SEQRES 20 321 PRO ASN THR ALA ILE PHE GLU GLY GLN LEU GLU LEU GLU SEQRES 21 321 ASN GLY TYR ILE LYS VAL GLN SER GLY ILE HIS GLY ASN SEQRES 22 321 ALA THR GLN THR SER ILE PRO GLY VAL PHE ALA ALA GLY SEQRES 23 321 ASP VAL MET ASP HIS ILE TYR ARG GLN ALA ILE THR SER SEQRES 24 321 ALA GLY THR GLY CYS MET ALA ALA LEU ASP ALA GLU ARG SEQRES 25 321 TYR LEU ASP GLY LEU ALA ASP ALA LYS CRYST1 123.100 123.100 81.400 90.00 90.00 120.00 P 63 2 2 12 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 0.008124 0.004690 0.000000 0.00000 SCALE2 0.000000 0.009380 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012285 0.00000