Header list of 1ckv.pdb file
Complete list - b 16 2 Bytes
HEADER HYDROXYLASE REGULATORY PROTEIN 25-APR-99 1CKV
TITLE STRUCTURE OF THE SOLUBLE METHANE MONOOXYGENASE REGULATORY PROTEIN B
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN (PROTEIN B);
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 ORGANISM_TAXID: 562
KEYWDS HYDROXYLASE REGULATORY PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 14
AUTHOR K.J.WALTERS,G.T.GASSNER,S.J.LIPPARD,G.WAGNER
REVDAT 3 16-FEB-22 1CKV 1 REMARK
REVDAT 2 24-FEB-09 1CKV 1 VERSN
REVDAT 1 07-JUL-99 1CKV 0
JRNL AUTH K.J.WALTERS,G.T.GASSNER,S.J.LIPPARD,G.WAGNER
JRNL TITL STRUCTURE OF THE SOLUBLE METHANE MONOOXYGENASE REGULATORY
JRNL TITL 2 PROTEIN B.
JRNL REF PROC.NATL.ACAD.SCI.USA V. 96 7877 1999
JRNL REFN ISSN 0027-8424
JRNL PMID 10393915
JRNL DOI 10.1073/PNAS.96.14.7877
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE
REMARK 4
REMARK 4 1CKV COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-APR-99.
REMARK 100 THE DEPOSITION ID IS D_1000000937.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 50 MM PHOSPHATE
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : 4 MM PEFAPLOC
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCO; HN(CA)CO; HNCA; HN(CO)CA;
REMARK 210 HNHA; HCCH-TOCSY; HC(CO)NH;
REMARK 210 H(CCO)NH; HNHB; NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 750 MHZ; 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : DMX600; INOVA750; U500; INOVA500
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : FELIX, EASY, TALOS, XPLOR
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 14
REMARK 210 CONFORMERS, SELECTION CRITERIA : NO NOE VIOLOTION GREATER THAN
REMARK 210 0.5 ANGSTROMS AND NO DIHEDRAL
REMARK 210 ANGLE VIOLATION GREATER THAN 5
REMARK 210 DEGREES.
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 3D HETERONUCLEAR AND 2D
REMARK 210 HOMONUCLEAR NMR 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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O GLY A 11 H LEU A 15 1.59
REMARK 500
REMARK 500 REMARK: NULL
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 ALA A 7 -174.73 62.43
REMARK 500 1 TYR A 8 21.49 -146.07
REMARK 500 1 LEU A 15 -80.00 -58.58
REMARK 500 1 PHE A 20 73.93 46.91
REMARK 500 1 ALA A 26 -115.53 -90.36
REMARK 500 1 ASN A 29 105.71 -177.49
REMARK 500 1 GLU A 34 85.69 33.35
REMARK 500 1 LEU A 40 125.82 -177.93
REMARK 500 1 GLU A 54 -81.60 -70.64
REMARK 500 1 ILE A 55 -57.98 -22.02
REMARK 500 1 ASN A 63 103.80 179.76
REMARK 500 1 VAL A 64 -52.06 178.51
REMARK 500 1 ASN A 65 141.56 178.86
REMARK 500 1 THR A 67 -106.25 -78.30
REMARK 500 1 VAL A 68 49.40 26.56
REMARK 500 1 ARG A 73 -120.67 -103.17
REMARK 500 1 ASP A 90 -35.87 161.50
REMARK 500 1 GLU A 91 -70.35 -73.02
REMARK 500 1 ARG A 98 147.23 -30.72
REMARK 500 1 PHE A 100 -165.19 -68.32
REMARK 500 1 ASN A 101 -167.88 -104.21
REMARK 500 1 ASP A 108 54.48 178.54
REMARK 500 1 SER A 111 149.88 170.52
REMARK 500 1 THR A 112 84.90 -157.75
REMARK 500 1 LYS A 122 115.63 152.95
REMARK 500 1 SER A 127 17.27 -142.36
REMARK 500 1 ASP A 133 69.72 -113.64
REMARK 500 1 TYR A 139 109.18 -160.77
REMARK 500 2 SER A 2 91.74 -174.71
REMARK 500 2 LEU A 15 -80.49 -67.19
REMARK 500 2 ASP A 19 13.71 -142.51
REMARK 500 2 ALA A 21 -177.15 -51.34
REMARK 500 2 ALA A 26 -127.33 -91.23
REMARK 500 2 ASP A 27 27.32 171.44
REMARK 500 2 GLU A 34 75.82 33.64
REMARK 500 2 ASP A 46 -16.25 -49.54
REMARK 500 2 GLU A 54 -82.05 -69.86
REMARK 500 2 ILE A 55 -58.93 -21.66
REMARK 500 2 ASN A 63 99.19 179.31
REMARK 500 2 VAL A 64 -50.34 -172.23
REMARK 500 2 ASN A 65 143.97 177.41
REMARK 500 2 THR A 67 -109.31 -82.84
REMARK 500 2 VAL A 68 49.27 26.80
REMARK 500 2 ARG A 73 -111.45 -95.64
REMARK 500 2 LYS A 84 162.13 178.04
REMARK 500 2 ASP A 90 -35.69 160.30
REMARK 500 2 GLU A 91 -72.87 -70.83
REMARK 500 2 ARG A 98 150.41 -33.56
REMARK 500 2 PHE A 100 -166.52 -77.24
REMARK 500 2 ASP A 108 -86.26 -171.57
REMARK 500
REMARK 500 THIS ENTRY HAS 443 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1CKV A 1 141 UNP P18797 MMOB_METCA 1 141
SEQRES 1 A 141 MET SER VAL ASN SER ASN ALA TYR ASP ALA GLY ILE MET
SEQRES 2 A 141 GLY LEU LYS GLY LYS ASP PHE ALA ASP GLN PHE PHE ALA
SEQRES 3 A 141 ASP GLU ASN GLN VAL VAL HIS GLU SER ASP THR VAL VAL
SEQRES 4 A 141 LEU VAL LEU LYS LYS SER ASP GLU ILE ASN THR PHE ILE
SEQRES 5 A 141 GLU GLU ILE LEU LEU THR ASP TYR LYS LYS ASN VAL ASN
SEQRES 6 A 141 PRO THR VAL ASN VAL GLU ASP ARG ALA GLY TYR TRP TRP
SEQRES 7 A 141 ILE LYS ALA ASN GLY LYS ILE GLU VAL ASP CYS ASP GLU
SEQRES 8 A 141 ILE SER GLU LEU LEU GLY ARG GLN PHE ASN VAL TYR ASP
SEQRES 9 A 141 PHE LEU VAL ASP VAL SER SER THR ILE GLY ARG ALA TYR
SEQRES 10 A 141 THR LEU GLY ASN LYS PHE THR ILE THR SER GLU LEU MET
SEQRES 11 A 141 GLY LEU ASP ARG LYS LEU GLU ASP TYR HIS ALA
HELIX 1 H1 ILE A 48 THR A 58 1 11
HELIX 2 H3 VAL A 102 LEU A 106 1 5
SHEET 1 S1 1 THR A 37 LYS A 44 0
SHEET 1 S2 1 VAL A 68 ASP A 72 0
SHEET 1 S3 1 TRP A 77 ASN A 82 0
SHEET 1 S4 1 ILE A 85 VAL A 87 0
SHEET 1 S5 1 VAL A 109 ILE A 113 0
SHEET 1 S6 1 ARG A 115 LEU A 119 0
SHEET 1 S7 1 LYS A 122 GLU A 128 0
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 - b 16 2 Bytes