Header list of 1pjf.pdb file
Complete list - n 13 2 Bytes
HEADER VIRAL PROTEIN 02-JUN-03 1PJF TITLE SOLID STATE NMR STRUCTURE OF THE PF1 MAJOR COAT PROTEIN IN TITLE 2 MAGNETICALLY ALIGNED BACTERIOPHAGE COMPND MOL_ID: 1; COMPND 2 MOLECULE: COAT PROTEIN B; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MAJOR COAT PROTEIN SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PHAGE PF1; SOURCE 3 ORGANISM_TAXID: 10871; SOURCE 4 OTHER_DETAILS: PSEUDOMONAS AERUGINOSA (ATCC #25102) WAS THE HOST SOURCE 5 BACTERIA. KEYWDS VIRAL PROTEIN, HELICAL VIRUS EXPDTA SOLID-STATE NMR NUMMDL 27 AUTHOR D.S.THIRIOT,A.A.NEVZOROV,L.ZAGYANSKIY,C.H.WU,S.J.OPELLA REVDAT 3 06-JUN-12 1PJF 1 HEADER KEYWDS VERSN REVDAT 2 24-FEB-09 1PJF 1 VERSN REVDAT 1 10-AUG-04 1PJF 0 JRNL AUTH D.S.THIRIOT,A.A.NEVZOROV,L.ZAGYANSKIY,C.H.WU,S.J.OPELLA JRNL TITL STRUCTURE OF THE COAT PROTEIN IN PF1 BACTERIOPHAGE JRNL TITL 2 DETERMINED BY SOLID-STATE NMR SPECTROSCOPY. JRNL REF J.MOL.BIOL. V. 341 869 2004 JRNL REFN ISSN 0022-2836 JRNL PMID 15288792 JRNL DOI 10.1016/J.JMB.2004.06.038 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : MATLAB SCRIPTS 6.5, SCWRL 2.95 (BLUE HORIZON REMARK 3 MODIFIED) REMARK 3 AUTHORS : NEVZOROV, THIRIOT (MATLAB SCRIPTS), BOWER, COHEN, REMARK 3 DUNBRACK, MAJUMDAR, CHUKKAPALLI (SCWRL) REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: SIDECHAINS WERE ADDED TO THE SOLID REMARK 3 STATE NMR BACKBONE STRUCTURE USING THE PROGRAM SCWRL. A REMARK 3 BACTERIOPHAGE MODEL WAS CONSTRUCTED BY APPLYING PUBLISHED X- RAY REMARK 3 FIBER AND NEUTRON DIFFRACTION SYMMETRY AND DISTANCE CONSTRAINTS REMARK 3 (INITIAL PHAGE), WHICH WAS FURTHER REFINED BY COMPARING THE REMARK 3 REPULSIVE AMBER ENERGY (USING SCWRL) OF MANY CONFIGURATIONS IN REMARK 3 WHICH THE MONOMERS HAD BEEN SYMMETRICALLY ROTATED AND TRANSLATED REMARK 3 WITH RESPECT TO THE INITIAL PHAGE. REMARK 4 REMARK 4 1PJF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-JUN-03. REMARK 100 THE RCSB ID CODE IS RCSB019360. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 8 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 50 MG/ML PF1 MAJOR COAT PROTEIN, REMARK 210 U-15N, 5 MM SODIUM BORATE BUFFER REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : PISEMA REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 2000.1, XWINNMR, MATLAB REMARK 210 SCRIPT 6.5 REMARK 210 METHOD USED : CONSTRUCTION OF BACTERIOPHAGE REMARK 210 MODEL BASED ON THE SOLID STATE REMARK 210 NMR STRUCTURE OF THE MAJOR COAT REMARK 210 PROTEIN MONOMER REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 116 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 27 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MODEL 1 IS THE BASIC SOLID-STATE NMR STRUCTURE (NO REMARK 210 SIDECHAINS), WHILE MODELS 2-27 ARE IDENTICAL TRANSLATED AND REMARK 210 ROTATED COPIES OF MODEL 1 (WITH SIDECHAINS ADDED AND ENERGY REMARK 210 MINIMIZED) INCLUDED TO PRESENT THE MODEL OF THE WHOLE REMARK 210 BACTERIOPHAGE ASSEMBLY. 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 DBREF 1PJF A 1 46 UNP P03621 COATB_BPPF1 37 82 SEQRES 1 A 46 GLY VAL ILE ASP THR SER ALA VAL GLU SER ALA ILE THR SEQRES 2 A 46 ASP GLY GLN GLY ASP MET LYS ALA ILE GLY GLY TYR ILE SEQRES 3 A 46 VAL GLY ALA LEU VAL ILE LEU ALA VAL ALA GLY LEU ILE SEQRES 4 A 46 TYR SER MET LEU ARG LYS ALA 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 - n 13 2 Bytes