Header list of 1pv0.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 26-JUN-03 1PV0
TITLE STRUCTURE OF THE SDA ANTIKINASE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: SDA;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;
SOURCE 3 ORGANISM_TAXID: 1423;
SOURCE 4 GENE: SDA;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(LAMBDA DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PET28A;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PSLR65
KEYWDS SDA, KINA, ANTIKINASE, HISTIDINE KINASE, SPORULATION PHOSPHORELAY,
KEYWDS 2 SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR S.L.ROWLAND,W.F.BURKHOLDER,M.W.MACIEJEWSKI,A.D.GROSSMAN,G.F.KING
REVDAT 3 02-MAR-22 1PV0 1 REMARK
REVDAT 2 24-FEB-09 1PV0 1 VERSN
REVDAT 1 13-APR-04 1PV0 0
JRNL AUTH S.L.ROWLAND,W.F.BURKHOLDER,K.A.CUNNINGHAM,M.W.MACIEJEWSKI,
JRNL AUTH 2 A.D.GROSSMAN,G.F.KING
JRNL TITL STRUCTURE AND MECHANISM OF SDA: AN INHIBITOR OF THE
JRNL TITL 2 HISTIDINE KINASES THAT REGULATE INITIATION OF SPORULATION IN
JRNL TITL 3 BACILLUS SUBTILIS
JRNL REF MOL.CELL V. 13 689 2004
JRNL REFN ISSN 1097-2765
JRNL PMID 15023339
JRNL DOI 10.1016/S1097-2765(04)00084-X
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH W.F.BURKHOLDER,I.KURSTER,A.D.GROSSMAN
REMARK 1 TITL REPLICATION INITIATION PROTEINS REGULATE A DEVELOPMENTAL
REMARK 1 TITL 2 CHECKPOINT IN BACILLUS SUBTILIS
REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 104 269 2001
REMARK 1 REFN ISSN 0092-8674
REMARK 1 DOI 10.1016/S0092-8674(01)00211-2
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 1.0, X-PLOR 3.1
REMARK 3 AUTHORS : FRANK DELAGLIO (NMRPIPE), AXEL BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1PV0 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-JUN-03.
REMARK 100 THE DEPOSITION ID IS D_1000019591.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 298
REMARK 210 PH : 6.85; 6.85
REMARK 210 IONIC STRENGTH : 160; 160
REMARK 210 PRESSURE : 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : 1 MM SDA, 20 MM SODIUM
REMARK 210 PHOSPHATE, 100 MM NACL, H2O; 1
REMARK 210 MM SDA, 20 MM SODIUM PHOSPHATE,
REMARK 210 100 MM NACL, D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D
REMARK 210 HNCACB; 3D CBCA(CO)NH; 3D HNCO;
REMARK 210 3D HC(CO)NH-TOCSY; 3D C(CO)NH-
REMARK 210 TOCSY; HNHA; 3D HNHB; 3D_13C-
REMARK 210 SEPARATED_NOESY; 3D HCCH-COSY;
REMARK 210 2D DQF-COSY; 2D_TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DYANA 1.5
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS FOLLOWED
REMARK 210 BY SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH LOWEST ENERGY
REMARK 210 AND LEAST RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY.
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 1 LEU A 4 147.37 -173.64
REMARK 500 1 ASN A 20 38.15 75.95
REMARK 500 2 LYS A 3 135.71 -176.10
REMARK 500 2 LEU A 4 148.27 -176.99
REMARK 500 2 ASN A 20 38.15 74.67
REMARK 500 3 LYS A 3 110.01 -166.49
REMARK 500 3 ASN A 20 38.26 75.69
REMARK 500 4 LEU A 4 147.31 -177.74
REMARK 500 4 ASN A 20 39.73 75.08
REMARK 500 5 LYS A 3 100.60 -178.25
REMARK 500 5 ASN A 20 37.16 74.02
REMARK 500 6 LYS A 3 93.92 -178.22
REMARK 500 6 ASN A 20 39.76 74.26
REMARK 500 7 LYS A 3 95.18 -170.77
REMARK 500 7 ASN A 20 37.68 75.53
REMARK 500 8 ASN A 20 38.95 75.09
REMARK 500 9 LYS A 3 96.76 -164.45
REMARK 500 9 ASN A 20 39.62 73.99
REMARK 500 10 LYS A 3 77.36 -177.29
REMARK 500 10 ASN A 20 38.30 74.52
REMARK 500 11 LYS A 3 90.46 -169.29
REMARK 500 11 ASN A 20 36.38 75.60
REMARK 500 11 SER A 43 73.22 -104.04
REMARK 500 12 LYS A 3 99.28 -162.79
REMARK 500 14 ASN A 20 36.79 75.36
REMARK 500 15 ASN A 20 38.01 74.41
REMARK 500 16 LYS A 3 106.35 -164.97
REMARK 500 16 ASN A 20 39.45 74.46
REMARK 500 16 SER A 43 79.93 -101.04
REMARK 500 17 LYS A 3 99.65 -171.85
REMARK 500 17 ASN A 20 37.69 74.84
REMARK 500 18 ASN A 20 37.22 75.04
REMARK 500 19 ASN A 20 39.43 74.56
REMARK 500 20 LYS A 3 100.04 -160.63
REMARK 500 20 ASN A 20 42.34 72.51
REMARK 500 21 LYS A 3 89.10 -178.50
REMARK 500 21 ASN A 20 42.89 73.32
REMARK 500 21 SER A 45 90.11 -69.39
REMARK 500 22 ASN A 20 36.05 75.16
REMARK 500 22 SER A 43 70.04 73.09
REMARK 500 23 ASN A 20 39.06 74.98
REMARK 500 23 SER A 43 72.59 73.62
REMARK 500 24 LYS A 3 78.84 -68.77
REMARK 500 24 LEU A 4 154.57 179.90
REMARK 500 24 ASN A 20 39.13 72.63
REMARK 500 24 SER A 43 73.34 69.31
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 999
REMARK 999 SEQUENCE THE SEQUENCE OF THIS PROTEIN IS NOT AVAILABLE IN ANY
REMARK 999 REFERENCE SEQUENCE DATABASE
DBREF 1PV0 A 1 46 UNP Q7WY62 SDA_BACSU 7 52
SEQRES 1 A 46 MET ARG LYS LEU SER ASP GLU LEU LEU ILE GLU SER TYR
SEQRES 2 A 46 PHE LYS ALA THR GLU MET ASN LEU ASN ARG ASP PHE ILE
SEQRES 3 A 46 GLU LEU ILE GLU ASN GLU ILE LYS ARG ARG SER LEU GLY
SEQRES 4 A 46 HIS ILE ILE SER VAL SER SER
HELIX 1 1 ASP A 6 MET A 19 1 14
HELIX 2 2 ARG A 23 ARG A 35 1 13
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 - r 2 2 Bytes