HEADER PRELIMINARY 05-OCT-92 P1OVB COMPND OVOTRANSFERRIN (18KD FRAGMENT, DOMAIN II FROM N-TERMINAL COMPND 2 LOBE) SOURCE DUCK AUTHOR P.KUSER,P.LINDLEY,R.SARRA REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.F.LINDLEY,M.BAJAJ,R.W.EVANS,R.C.GARRATT, REMARK 1 AUTH 2 S.S.HASNAIN,H.JHOTI,P.KUSER,M.NEU,K.PATEL,R.SARRA, REMARK 1 AUTH 3 R.STRANGE,A.WALTON REMARK 1 TITL THE MECHANISM OF IRON UPTAKE BY TRANSFERRINS: THE REMARK 1 TITL 2 STRUCTURE OF AN 18KD NII-DOMAIN FRAGMENT AT 2.3 REMARK 1 TITL 3 ANGSTROMS RESOLUTION REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN ASTM 353 REMARK 2 REMARK 2 RESOLUTION. 2.3 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM XPLOR REMARK 3 AUTHORS BRUNGER REMARK 3 R VALUE 0.195 REMARK 3 RMSD BOND DISTANCES 0.008 ANGSTROMS REMARK 3 RMSD BOND ANGLE 0.01 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 THE SEQUENCE IS THAT DETERMINED BY THE AUTHORS. SEQRES 1 159 SER TYR TYR ALA VAL ALA VAL VAL LYS LYS GLY THR ASP SEQRES 2 159 PHE MET ILE LYS ASP LEU ARG GLY LYS THR SER CYS HIS SEQRES 3 159 THR GLY LEU GLY ARG SER ALA GLY TRP ASN ILE PRO ILE SEQRES 4 159 GLY THR LEU ILE HIS ARG GLU ASP ILE GLU TRP GLU GLY SEQRES 5 159 ILE GLU SER GLY SER VAL GLU GLN ALA VAL ALA LYS PHE SEQRES 6 159 PHE SER ALA SER CYS VAL PRO GLY ALA THR ILE GLU GLN SEQRES 7 159 LYS LEU CYS ARG GLN CYS LYS GLY ASP ALA LYS THR LYS SEQRES 8 159 CYS LEU ARG ASN ALA PRO TYR SER GLY TYR SER GLY ALA SEQRES 9 159 PHE GLN CYS LEU LYS ASP GLY LYS GLY ASP VAL ALA PHE SEQRES 10 159 VAL LYS HIS THR THR VAL GLN GLU ASN ALA PRO GLU GLU SEQRES 11 159 LYS ASP GLU TYR GLU LEU LEU CYS LEU ASP GLY SER ARG SEQRES 12 159 GLN PRO VAL ASP SER TYR LYS THR CYS ASN TRP ALA ARG SEQRES 13 159 VAL ALA ALA CRYST1 41.500 41.500 81.900 90.00 90.00 120.00 P 31 3 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 0.024096 0.013912 0.000000 0.00000 SCALE2 0.000000 0.027824 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012210 0.00000