HEADER PRELIMINARY 21-SEP-92 P1MUP COMPND MAJOR URINARY PROTEIN COMPLEX WITH 2-(SEC-BUTYL) COMPND 2 THIAZOLINE SOURCE MOUSE (MUS MUSCULUS) AUTHOR Z.BOCSKEI,D.R.FLOWER,C.R.GROOM,S.E.V.PHILLIPS,A.C.T.NORTH REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Z.BOCSKEI,C.R.GROOM,D.R.FLOWER,C.E.WRIGHT, REMARK 1 AUTH 2 S.E.V.PHILLIPS,A.CAVAGGIONI,J.B.FINDLAY, REMARK 1 AUTH 3 A.C.T.NORTH REMARK 1 TITL PHEROMONE BINDING TO TWO RODENT URINARY PROTEINS REMARK 1 TITL 2 REVEALED BY X-RAY CRYSTALLOGRAPHY REMARK 1 REF NATURE V. 360 186 1992 REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 060 REMARK 2 REMARK 2 RESOLUTION. 2.4 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM XPLOR REMARK 3 AUTHORS BRUNGER REMARK 3 R VALUE 0.191 REMARK 3 RMSD BOND DISTANCES 0.026 ANGSTROMS REMARK 3 RMSD BOND ANGLES 0.080 ANGSTROMS 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 RESIDUES 1-4 AND 162-166 WERE NOT VISIBLE IN THE ELECTRON REMARK 5 DENSITY MAP AND ARE NOT INCLUDED IN THIS ENTRY. REMARK 6 REMARK 6 THE SIDE CHAIN ATOMS OF RESIDUES GLU 5, ASN 39, GLU 53, REMARK 6 ARG 64, LYS 80, GLU 150 AND ASN 157 ARE DISORDERED IN THE REMARK 6 ELECTRON DENSITY MAP. THESE ATOMS ARE NOT INCLUDED IN THIS REMARK 6 ENTRY. SEQRES 1 166 CYS VAL HIS ALA GLU GLU ALA SER SER THR GLY ARG ASN SEQRES 2 166 PHE ASN VAL GLU LYS ILE ASN GLY GLU TRP HIS THR ILE SEQRES 3 166 ILE LEU ALA SER ASP LYS ARG GLU LYS ILE GLU ASP ASN SEQRES 4 166 GLY ASN PHE ARG LEU PHE LEU GLU GLN ILE HIS VAL LEU SEQRES 5 166 GLU ASN SER LEU VAL LEU LYS PHE HIS THR VAL ARG ASP SEQRES 6 166 GLU GLU CYS SER GLU LEU SER MET VAL ALA ASP LYS THR SEQRES 7 166 GLU LYS ALA GLY GLU TYR SER VAL THR TYR ASP GLY PHE SEQRES 8 166 ASN THR PHE THR ILE PRO LYS THR ASP TYR ASP ASN PHE SEQRES 9 166 LEU MET ALA HIS LEU ILE ASN GLU LYS ASP GLY GLU THR SEQRES 10 166 PHE GLN LEU MET GLY LEU TYR GLY ARG GLU PRO ASP LEU SEQRES 11 166 SER SER ASP ILE LYS GLU ARG PHE ALA GLN LEU CYS GLU SEQRES 12 166 GLU HIS GLY ILE LEU ARG GLU ASN ILE ILE ASP LEU SER SEQRES 13 166 ASN ALA ASN ARG CYS LEU GLN ALA ARG GLU CRYST1 57.300 57.300 110.000 90.00 90.00 90.00 P 43 21 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 0.017452 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017452 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009091 0.00000