HEADER PRELIMINARY 14-MAY-93 P1RTP COMPND RAT ALPHA-PARVALBUMIN SOURCE RAT FAST-TWITCH MUSCLE, GENUS RATTUS AUTHOR C.A.MCPHALEN,A.R.SIELECKI,B.D.SANTARSIERO,M.N.G.JAMES REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.A.MCPHALEN,A.R.SIELECKI,B.D.SANTARSIERO, REMARK 1 AUTH 2 M.N.G.JAMES REMARK 1 TITL REFINED X-RAY STRUCTURE OF RAT PARVALBUMIN, A REMARK 1 TITL 2 MAMMALIAN ALPHA-LINEAGE PARVALBUMIN, AT 2.0 A REMARK 1 TITL 3 RESOLUTION. REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN ASTM 353 REMARK 2 REMARK 2 RESOLUTION. 2.0 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM PROLSQ REMARK 3 AUTHORS HENDRICKSON,KONNERT REMARK 3 R VALUE 0.181 REMARK 3 RMSD BOND DISTANCES 0.008 ANGSTROMS REMARK 3 RMSD BOND ANGLE DISTANCES 0.03 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 ********************************************************** SEQRES 1 1 109 SER MET THR ASP LEU LEU SER ALA GLU ASP ILE LYS LYS SEQRES 2 1 109 ALA ILE GLY ALA PHE THR ALA ALA ASP SER PHE ASP HIS SEQRES 3 1 109 LYS LYS PHE PHE GLN MET VAL GLY LEU LYS LYS LYS SER SEQRES 4 1 109 ALA ASP ASP VAL LYS LYS VAL PHE HIS ILE LEU ASP LYS SEQRES 5 1 109 ASP LYS SER GLY PHE ILE GLU GLU ASP GLU LEU GLY SER SEQRES 6 1 109 ILE LEU LYS GLY PHE SER SER ASP ALA ARG ASP LEU SER SEQRES 7 1 109 ALA LYS GLU THR LYS THR LEU MET ALA ALA GLY ASP LYS SEQRES 8 1 109 ASP GLY ASP GLY LYS ILE GLY VAL GLU GLU PHE SER THR SEQRES 9 1 109 LEU VAL ALA GLU SER SEQRES 1 2 109 SER MET THR ASP LEU LEU SER ALA GLU ASP ILE LYS LYS SEQRES 2 2 109 ALA ILE GLY ALA PHE THR ALA ALA ASP SER PHE ASP HIS SEQRES 3 2 109 LYS LYS PHE PHE GLN MET VAL GLY LEU LYS LYS LYS SER SEQRES 4 2 109 ALA ASP ASP VAL LYS LYS VAL PHE HIS ILE LEU ASP LYS SEQRES 5 2 109 ASP LYS SER GLY PHE ILE GLU GLU ASP GLU LEU GLY SER SEQRES 6 2 109 ILE LEU LYS GLY PHE SER SER ASP ALA ARG ASP LEU SER SEQRES 7 2 109 ALA LYS GLU THR LYS THR LEU MET ALA ALA GLY ASP LYS SEQRES 8 2 109 ASP GLY ASP GLY LYS ILE GLY VAL GLU GLU PHE SER THR SEQRES 9 2 109 LEU VAL ALA GLU SER SEQRES 1 3 109 SER MET THR ASP LEU LEU SER ALA GLU ASP ILE LYS LYS SEQRES 2 3 109 ALA ILE GLY ALA PHE THR ALA ALA ASP SER PHE ASP HIS SEQRES 3 3 109 LYS LYS PHE PHE GLN MET VAL GLY LEU LYS LYS LYS SER SEQRES 4 3 109 ALA ASP ASP VAL LYS LYS VAL PHE HIS ILE LEU ASP LYS SEQRES 5 3 109 ASP LYS SER GLY PHE ILE GLU GLU ASP GLU LEU GLY SER SEQRES 6 3 109 ILE LEU LYS GLY PHE SER SER ASP ALA ARG ASP LEU SER SEQRES 7 3 109 ALA LYS GLU THR LYS THR LEU MET ALA ALA GLY ASP LYS SEQRES 8 3 109 ASP GLY ASP GLY LYS ILE GLY VAL GLU GLU PHE SER THR SEQRES 9 3 109 LEU VAL ALA GLU SER CRYST1 34.300 55.000 156.100 90.00 90.00 90.00 P 21 21 21 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 0.029154 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018182 0.000000 0.00000 SCALE3 0.000000 0.000000 0.006406 0.00000