Header list of 2fsp.pdb file
Complete list - 9 202 Bytes
HEADER RESPONSE REGULATOR 06-JUN-97 2FSP TITLE NMR SOLUTION STRUCTURE OF BACILLUS SUBTILIS SPO0F PROTEIN, MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: STAGE 0 SPORULATION PROTEIN F; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SPO0F; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 CELL_LINE: BL21; SOURCE 5 GENE: SPO0F; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: T7 PROMOTER; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PET20B (NOVAGEN); SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET0F; SOURCE 12 EXPRESSION_SYSTEM_GENE: SPO0F KEYWDS RESPONSE REGULATOR, SPORULATION, TWO-COMPONENT SYSTEMS, BACTERIAL KEYWDS 2 SIGNAL TRANSDUCTION, PHOSPHO-RELAY, (BETA/ALPHA)5 PROTEIN EXPDTA SOLUTION NMR AUTHOR V.A.FEHER,N.J.SKELTON,F.W.DAHLQUIST,J.CAVANAGH REVDAT 4 09-MAR-22 2FSP 1 REMARK REVDAT 3 24-FEB-09 2FSP 1 VERSN REVDAT 2 01-APR-03 2FSP 1 JRNL REVDAT 1 10-DEC-97 2FSP 0 JRNL AUTH V.A.FEHER,J.W.ZAPF,J.A.HOCH,J.M.WHITELEY,L.P.MCINTOSH, JRNL AUTH 2 M.RANCE,N.J.SKELTON,F.W.DAHLQUIST,J.CAVANAGH JRNL TITL HIGH-RESOLUTION NMR STRUCTURE AND BACKBONE DYNAMICS OF THE JRNL TITL 2 BACILLUS SUBTILIS RESPONSE REGULATOR, SPO0F: IMPLICATIONS JRNL TITL 3 FOR PHOSPHORYLATION AND MOLECULAR RECOGNITION. JRNL REF BIOCHEMISTRY V. 36 10015 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9254596 JRNL DOI 10.1021/BI970816L REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH V.A.FEHER,J.W.ZAPF,J.A.HOCH,F.W.DAHLQUIST,J.M.WHITELEY, REMARK 1 AUTH 2 J.CAVANAGH REMARK 1 TITL 1H, 15N, AND 13C BACKBONE CHEMICAL SHIFT ASSIGNMENTS, REMARK 1 TITL 2 SECONDARY STRUCTURE, AND MAGNESIUM-BINDING CHARACTERISTICS REMARK 1 TITL 3 OF THE BACILLUS SUBTILIS RESPONSE REGULATOR, SPO0F, REMARK 1 TITL 4 DETERMINED BY HETERONUCLEAR HIGH-RESOLUTION NMR REMARK 1 REF PROTEIN SCI. V. 4 1801 1995 REMARK 1 REFN ISSN 0961-8368 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE REMARK 3 BIOCHEMISTRY CITATION. REMARK 4 REMARK 4 2FSP COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000178108. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 6.8 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : TPPI-STATES REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : BRUKER AMX 600; DMX 500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN; GE REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR 3.1 REMARK 210 METHOD USED : DISTANCE GEOMETRY WITH SIMULATED REMARK 210 ANNEALING REFINEMENT REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 60 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED MEAN OF 20 LOWEST REMARK 210 VIOLATION ENERGY STRUCTURES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 MET A 2 37.29 -170.01 REMARK 500 ASN A 3 45.87 -97.89 REMARK 500 GLU A 4 50.76 -99.66 REMARK 500 ASN A 20 -71.57 -71.44 REMARK 500 PHE A 31 -169.76 -114.41 REMARK 500 ALA A 34 -44.43 164.06 REMARK 500 ARG A 47 72.47 61.10 REMARK 500 ILE A 57 102.75 -42.63 REMARK 500 ASN A 75 37.66 -95.48 REMARK 500 THR A 82 62.31 -166.74 REMARK 500 ASP A 88 -80.61 -96.01 REMARK 500 LYS A 94 -70.33 -66.38 REMARK 500 LEU A 99 -77.21 -45.50 REMARK 500 ALA A 103 -169.91 -129.88 REMARK 500 TYR A 118 -70.59 -68.85 REMARK 500 LYS A 122 172.49 -46.62 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FSP RELATED DB: PDB DBREF 2FSP A 1 124 UNP P06628 SP0F_BACSU 1 124 SEQRES 1 A 124 MET MET ASN GLU LYS ILE LEU ILE VAL ASP ASP GLN TYR SEQRES 2 A 124 GLY ILE ARG ILE LEU LEU ASN GLU VAL PHE ASN LYS GLU SEQRES 3 A 124 GLY TYR GLN THR PHE GLN ALA ALA ASN GLY LEU GLN ALA SEQRES 4 A 124 LEU ASP ILE VAL THR LYS GLU ARG PRO ASP LEU VAL LEU SEQRES 5 A 124 LEU ASP MET LYS ILE PRO GLY MET ASP GLY ILE GLU ILE SEQRES 6 A 124 LEU LYS ARG MET LYS VAL ILE ASP GLU ASN ILE ARG VAL SEQRES 7 A 124 ILE ILE MET THR ALA TYR GLY GLU LEU ASP MET ILE GLN SEQRES 8 A 124 GLU SER LYS GLU LEU GLY ALA LEU THR HIS PHE ALA LYS SEQRES 9 A 124 PRO PHE ASP ILE ASP GLU ILE ARG ASP ALA VAL LYS LYS SEQRES 10 A 124 TYR LEU PRO LEU LYS SER ASN HELIX 1 1 ILE A 15 GLU A 26 1 12 HELIX 2 2 LEU A 37 LYS A 45 1 9 HELIX 3 3 ILE A 63 ILE A 72 1 10 HELIX 4 4 ILE A 90 GLY A 97 1 8 HELIX 5 5 ILE A 108 TYR A 118 1 11 SHEET 1 A 5 GLN A 29 ALA A 33 0 SHEET 2 A 5 LYS A 5 VAL A 9 1 N ILE A 6 O GLN A 29 SHEET 3 A 5 LEU A 50 LEU A 53 1 N LEU A 50 O LEU A 7 SHEET 4 A 5 ARG A 77 MET A 81 1 N ARG A 77 O VAL A 51 SHEET 5 A 5 THR A 100 PHE A 102 1 O THR A 100 N ILE A 80 CISPEP 1 LYS A 104 PRO A 105 0 0.10 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
Complete list - 9 202 Bytes