Header list of 1q7o.pdb file
Complete list - 2 20 Bytes
HEADER DE NOVO PROTEIN 19-AUG-03 1Q7O TITLE DETERMINATION OF F-MLF-OH PEPTIDE STRUCTURE WITH SOLID-STATE MAGIC- TITLE 2 ANGLE SPINNING NMR SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: CHEMOTACTIC PEPTIDE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: FORMYL-L-MET-L-LEU-L-PHE-OH SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THIS SEQUENCE WAS SYNTHESIZED BY STANDARD SOLID-PHASE SOURCE 4 METHODS AND HPLC PURIFICATION. KEYWDS MLF, CHEMOTACTIC PEPTIDE, DE NOVO PROTEIN EXPDTA SOLID-STATE NMR NUMMDL 20 AUTHOR C.M.RIENSTRA,L.TUCKER-KELLOGG,C.P.JARONIEC,M.HOHWY,B.REIF, AUTHOR 2 M.T.MCMAHON,B.TIDOR,T.LOZANO-PEREZ,R.G.GRIFFIN REVDAT 3 02-MAR-22 1Q7O 1 REMARK LINK REVDAT 2 24-FEB-09 1Q7O 1 VERSN REVDAT 1 09-SEP-03 1Q7O 0 JRNL AUTH C.M.RIENSTRA,L.TUCKER-KELLOGG,C.P.JARONIEC,M.HOHWY,B.REIF, JRNL AUTH 2 M.T.MCMAHON,B.TIDOR,T.LOZANO-PEREZ,R.G.GRIFFIN JRNL TITL DE NOVO DETERMINATION OF PEPTIDE STRUCTURE WITH SOLID-STATE JRNL TITL 2 MAGIC-ANGLE SPINNING NMR SPECTROSCOPY JRNL REF PROC.NATL.ACAD.SCI.USA V. 99 10260 2002 JRNL REFN ISSN 0027-8424 JRNL PMID 12149447 JRNL DOI 10.1073/PNAS.152346599 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: MOLECULAR DYNAMICS REMARK 4 REMARK 4 1Q7O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 20-AUG-03. REMARK 100 THE DEPOSITION ID IS D_1000020019. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 305 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : F-MLF-OH PEPTIDE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D-FS-REDOR; 3D-H-N-C-H; 3D-H-C REMARK 210 -C-H; 3D-N-C-C-N; H-N-N-H REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 400 MHZ REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : CAMBRIDGE INSTRUMENTS REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : RNMR REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 217 REMARK 217 SOLID STATE NMR STUDY REMARK 217 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLID REMARK 217 STATE NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 217 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 217 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (RES=RESIDUE NAME; REMARK 470 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 470 MODELS 1-20 REMARK 470 RES CSSEQI ATOMS REMARK 470 MTY A 3 OH DBREF 1Q7O A 1 3 PDB 1Q7O 1Q7O 1 3 SEQRES 1 A 3 FME LEU MTY MODRES 1Q7O FME A 1 MET N-FORMYLMETHIONINE MODRES 1Q7O MTY A 3 TYR META-TYROSINE HET FME A 1 19 HET MTY A 3 20 HETNAM FME N-FORMYLMETHIONINE HETNAM MTY META-TYROSINE FORMUL 1 FME C6 H11 N O3 S FORMUL 1 MTY C9 H11 N O3 LINK C FME A 1 N LEU A 2 1555 1555 1.33 LINK C LEU A 2 N MTY A 3 1555 1555 1.33 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1
Complete list - 2 20 Bytes