Header list of 1ot4.pdb file
Complete list - b 23 2 Bytes
HEADER METAL BINDING PROTEIN 21-MAR-03 1OT4
TITLE SOLUTION STRUCTURE OF CU(II)-COPC FROM PSEUDOMONAS SYRINGAE
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: COPPER RESISTANCE PROTEIN C;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE;
SOURCE 3 ORGANISM_TAXID: 317;
SOURCE 4 GENE: COPC;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYS;
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET20B
KEYWDS COPPER TRAFFICKING, PARAMAGNETIC PROTEINS, TYPE II COPPER(II),
KEYWDS 2 STRUCTURAL PROTEOMICS IN EUROPE, SPINE, STRUCTURAL GENOMICS, METAL
KEYWDS 3 BINDING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 35
AUTHOR F.ARNESANO,L.BANCI,I.BERTINI,I.C.FELLI,C.LUCHINAT,A.R.THOMPSETT,
AUTHOR 2 STRUCTURAL PROTEOMICS IN EUROPE (SPINE)
REVDAT 3 23-FEB-22 1OT4 1 REMARK
REVDAT 2 24-FEB-09 1OT4 1 VERSN
REVDAT 1 08-JUL-03 1OT4 0
JRNL AUTH F.ARNESANO,L.BANCI,I.BERTINI,I.C.FELLI,C.LUCHINAT,
JRNL AUTH 2 A.R.THOMPSETT
JRNL TITL A STRATEGY FOR THE NMR CHARACTERIZATION OF TYPE II
JRNL TITL 2 COPPER(II) PROTEINS: THE CASE OF THE COPPER TRAFFICKING
JRNL TITL 3 PROTEIN COPC FROM PSEUDOMONAS SYRINGAE.
JRNL REF J.AM.CHEM.SOC. V. 125 7200 2003
JRNL REFN ISSN 0002-7863
JRNL PMID 12797793
JRNL DOI 10.1021/JA034112C
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR, DYANA
REMARK 3 AUTHORS : GUENTERT, MUMENTHALER, WUETHRICH (DYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 1276 MEANINGFUL NOES, 123 DIHEDRAL
REMARK 3 ANGLE RESTRAINTS, 27 EXPERIMENTAL HYDROGEN BONDS, 23 METAL-
REMARK 3 HETERONUCLEUS DISTANCES OBTAINED FROM LONGITUDINAL 13C
REMARK 3 RELAXATION RATES, 83 PROTON PSEUDOCONTACT SHIFTS
REMARK 4
REMARK 4 1OT4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 28-MAR-03.
REMARK 100 THE DEPOSITION ID IS D_1000018642.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 100MM PHOSPHATE
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 2.5 MM CU(II)-COPC 15N,13C;
REMARK 210 100MM PHOSPHATE BUFFER NA; 90%
REMARK 210 H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 3D_15N-
REMARK 210 SEPARATED_NOESY; 13C-13C
REMARK 210 CONSTANT TIME-COSY; 13C -15N
REMARK 210 HSQC; SATURATION RECOVERY 1D 13C
REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY, DYANA, CORMA
REMARK 210 METHOD USED : SIMULATED ANNEALING TORSION
REMARK 210 ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 400
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 35
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: CU(II)-COPC WAS OBTAINED BY ADDING ONE EQUIVALENT OF CUSO4
REMARK 210 TO APOCOPC
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 H TRP A 83 O GLY A 95 1.58
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 VAL A 5 -77.91 -55.49
REMARK 500 1 PRO A 9 -73.32 -74.99
REMARK 500 1 ALA A 10 46.83 -177.27
REMARK 500 1 GLU A 11 101.06 -44.35
REMARK 500 1 GLU A 27 61.82 -153.81
REMARK 500 1 ASN A 28 -85.31 -62.24
REMARK 500 1 LEU A 29 81.70 38.79
REMARK 500 1 VAL A 30 -98.69 -64.55
REMARK 500 1 GLN A 32 -81.04 -156.94
REMARK 500 1 PHE A 33 26.24 -161.81
REMARK 500 1 THR A 41 63.08 -111.05
REMARK 500 1 ALA A 42 179.27 -51.17
REMARK 500 1 MET A 43 156.81 -37.83
REMARK 500 1 MET A 46 66.33 -103.99
REMARK 500 1 HIS A 48 87.93 47.50
REMARK 500 1 SER A 87 -70.12 -89.16
REMARK 500 1 SER A 88 87.72 170.18
REMARK 500 1 ASP A 89 44.58 174.85
REMARK 500 1 THR A 90 -173.50 49.32
REMARK 500 1 HIS A 91 88.77 42.15
REMARK 500 2 LEU A 4 175.21 -54.26
REMARK 500 2 VAL A 5 -77.41 -53.39
REMARK 500 2 ALA A 10 44.44 -179.19
REMARK 500 2 GLU A 11 103.53 -42.15
REMARK 500 2 SER A 13 98.41 -69.31
REMARK 500 2 ASN A 28 136.35 62.09
REMARK 500 2 LEU A 29 -65.58 -98.46
REMARK 500 2 VAL A 30 124.37 62.43
REMARK 500 2 PHE A 33 19.00 -146.04
REMARK 500 2 THR A 41 60.01 -106.68
REMARK 500 2 GLU A 47 73.84 55.67
REMARK 500 2 HIS A 48 85.06 44.35
REMARK 500 2 ALA A 76 150.86 -49.24
REMARK 500 2 THR A 90 74.49 -175.22
REMARK 500 2 HIS A 91 113.50 61.26
REMARK 500 3 LEU A 4 174.53 -54.32
REMARK 500 3 VAL A 5 -77.16 -55.86
REMARK 500 3 THR A 8 58.37 -140.23
REMARK 500 3 ALA A 10 45.46 163.45
REMARK 500 3 ASN A 28 144.24 61.40
REMARK 500 3 THR A 31 58.55 -104.41
REMARK 500 3 PHE A 33 14.92 -142.58
REMARK 500 3 THR A 41 59.92 -109.89
REMARK 500 3 MET A 43 98.07 49.03
REMARK 500 3 GLU A 47 53.91 39.06
REMARK 500 3 HIS A 48 88.93 41.02
REMARK 500 3 ALA A 76 163.65 -44.27
REMARK 500 3 SER A 88 -64.31 72.83
REMARK 500 3 THR A 90 -172.34 47.10
REMARK 500 4 VAL A 5 -83.58 -62.00
REMARK 500
REMARK 500 THIS ENTRY HAS 593 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1M42 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF APOCOPC FROM PSEUDOMONAS SYRINGAE
REMARK 900 RELATED ID: 1NM4 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF CU(I)-COPC FROM PSEUDOMONAS SYRINGAE
REMARK 900 RELATED ID: CIRMMP01 RELATED DB: TARGETDB
DBREF 1OT4 A 1 102 UNP P12376 COPC_PSESM 25 126
SEQRES 1 A 102 HIS PRO LYS LEU VAL SER SER THR PRO ALA GLU GLY SER
SEQRES 2 A 102 GLU GLY ALA ALA PRO ALA LYS ILE GLU LEU HIS PHE SER
SEQRES 3 A 102 GLU ASN LEU VAL THR GLN PHE SER GLY ALA LYS LEU VAL
SEQRES 4 A 102 MET THR ALA MET PRO GLY MET GLU HIS SER PRO MET ALA
SEQRES 5 A 102 VAL LYS ALA ALA VAL SER GLY GLY GLY ASP PRO LYS THR
SEQRES 6 A 102 MET VAL ILE THR PRO ALA SER PRO LEU THR ALA GLY THR
SEQRES 7 A 102 TYR LYS VAL ASP TRP ARG ALA VAL SER SER ASP THR HIS
SEQRES 8 A 102 PRO ILE THR GLY SER VAL THR PHE LYS VAL LYS
HET CU A 103 1
HETNAM CU COPPER (II) ION
FORMUL 2 CU CU 2+
SHEET 1 A 4 SER A 6 THR A 8 0
SHEET 2 A 4 ILE A 21 HIS A 24 -1 O HIS A 24 N SER A 6
SHEET 3 A 4 THR A 65 PRO A 70 -1 O ILE A 68 N ILE A 21
SHEET 4 A 4 ALA A 55 GLY A 59 -1 N ALA A 56 O THR A 69
SHEET 1 B 3 GLY A 35 VAL A 39 0
SHEET 2 B 3 GLY A 77 ALA A 85 -1 O ARG A 84 N GLY A 35
SHEET 3 B 3 ILE A 93 VAL A 101 -1 O GLY A 95 N TRP A 83
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 23 2 Bytes