Header list of 1sp0.pdb file
Complete list - 2 20 Bytes
HEADER METAL TRANSPORT 16-MAR-04 1SP0
TITLE SOLUTION STRUCTURE OF APOCOX11
CAVEAT 1SP0 CHIRALITY ERROR AT RESIDUE 102
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CYTOCHROME C OXIDASE ASSEMBLY PROTEIN CTAG;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: C-TERMINAL SOLUBLE DOMAIN;
COMPND 5 SYNONYM: COX11;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI;
SOURCE 3 ORGANISM_TAXID: 382;
SOURCE 4 GENE: CTAG, R00908, SMC00012;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21A
KEYWDS IMMUNOGLOBULIN-LIKE FOLD, COPPER PROTEIN, CYTOCHROME C OXIDASE
KEYWDS 2 ASSEMBLY, METAL TRANSPORT
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR L.BANCI,I.BERTINI,F.CANTINI,S.CIOFI-BAFFONI,L.GONNELLI,S.MANGANI
REVDAT 4 02-MAR-22 1SP0 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1SP0 1 VERSN
REVDAT 2 17-AUG-04 1SP0 1 JRNL
REVDAT 1 10-AUG-04 1SP0 0
JRNL AUTH L.BANCI,I.BERTINI,F.CANTINI,S.CIOFI-BAFFONI,L.GONNELLI,
JRNL AUTH 2 S.MANGANI
JRNL TITL SOLUTION STRUCTURE OF COX11, A NOVEL TYPE OF
JRNL TITL 2 {BETA}-IMMUNOGLOBULIN-LIKE FOLD INVOLVED IN CUB SITE
JRNL TITL 3 FORMATION OF CYTOCHROME C OXIDASE.
JRNL REF J.BIOL.CHEM. V. 279 34833 2004
JRNL REFN ISSN 0021-9258
JRNL PMID 15181013
JRNL DOI 10.1074/JBC.M403655200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR, AMBER 5.0
REMARK 3 AUTHORS :
REMARK 3 PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,FERGUSON,SEIBEL,SINGH,
REMARK 3 WEINER,KOLLMAN (AMBER)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES WERE BASED ON A TOTAL OF
REMARK 3 2867 MEANINGFUL DISTANCE CONSTRAINTS, 130 DIHEDRAL ANGLE
REMARK 3 RESTRAINTS
REMARK 4
REMARK 4 1SP0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-MAR-04.
REMARK 100 THE DEPOSITION ID IS D_1000021888.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 7
REMARK 210 IONIC STRENGTH : 20 MM PHOSPHATE BUFFER
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5 MM APOCOX11 U-15N; 5MM DTT;
REMARK 210 20 MM PHOSPHATE BUFFER NA; 1 MM
REMARK 210 APOCOX11 U-95% 13C,U-98% 15N; 5
REMARK 210 MM DTT; 20 MM PHOSPHATE BUFFER
REMARK 210 NA; 2 MM UNLABELLED APOCOX11; 5
REMARK 210 MM DTT; 20 MM PHOSPHATE BUFFER NA
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY; 3D_15N
REMARK 210 -SEPARATED_NOESY; HNHA; 3D_13C-
REMARK 210 SEPARATED_NOESY; 13C (H)CCH-
REMARK 210 TOCSY; CBCA(CO)NH; CBCANH; HNCO;
REMARK 210 HN(CA)CO
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ; 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY 1.3, DYANA 1.5, CYANA 1.0
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS COUPLED
REMARK 210 WITH SIMULATED ANNEALING
REMARK 210 FOLLOWED BY RESTRAINED ENERGY
REMARK 210 MINIMIZATION
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING 3D HETERONUCLEAR
REMARK 210 TECHNIQUES. THE 500 MHZ SPECTROMETER WAS EQUIPPED WITH A TRIPLE
REMARK 210 RESONANCE CRYOPROBE. ALL THE TRIPLE RESONANCE (TXI 5-MM) PROBES
REMARK 210 USED WERE EQUIPPED WITH PULSED FIELD GRADIENTS ALONG THE Z-AXIS
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 465
REMARK 465 MISSING RESIDUES
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)
REMARK 465 RES C SSSEQI
REMARK 465 MET A 1
REMARK 465 VAL A 2
REMARK 465 PRO A 3
REMARK 465 LEU A 4
REMARK 465 TYR A 5
REMARK 465 ASP A 6
REMARK 465 MET A 7
REMARK 465 PHE A 8
REMARK 465 CYS A 9
REMARK 465 ARG A 10
REMARK 465 VAL A 11
REMARK 465 THR A 12
REMARK 465 GLY A 13
REMARK 465 TYR A 14
REMARK 465 ASN A 15
REMARK 465 GLY A 16
REMARK 465 THR A 17
REMARK 465 THR A 18
REMARK 465 GLN A 19
REMARK 465 ARG A 20
REMARK 465 PRO A 152
REMARK 465 VAL A 153
REMARK 465 ALA A 154
REMARK 465 GLN A 155
REMARK 465 VAL A 156
REMARK 465 LYS A 157
REMARK 465 ALA A 158
REMARK 465 LYS A 159
REMARK 465 ALA A 160
REMARK 465 GLU A 161
REMARK 465 ASN A 162
REMARK 465 LYS A 163
REMARK 465 LEU A 164
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 GLN A 23 159.29 173.45
REMARK 500 ALA A 24 24.03 -157.22
REMARK 500 ILE A 28 81.21 -69.28
REMARK 500 GLU A 31 102.40 -51.45
REMARK 500 PRO A 46 44.97 -81.14
REMARK 500 ILE A 60 70.09 1.20
REMARK 500 GLU A 62 104.25 -46.05
REMARK 500 THR A 63 92.89 -68.30
REMARK 500 GLN A 81 49.17 -176.72
REMARK 500 THR A 87 147.95 -174.10
REMARK 500 MET A 89 -74.24 174.51
REMARK 500 ALA A 91 -114.24 -79.73
REMARK 500 GLN A 99 -157.08 -81.58
REMARK 500 PHE A 101 -35.99 73.21
REMARK 500 CYS A 102 16.43 -60.46
REMARK 500 PHE A 103 86.10 -65.93
REMARK 500 THR A 106 -73.60 52.42
REMARK 500 LYS A 128 -66.87 -136.72
REMARK 500 GLN A 133 49.96 24.35
REMARK 500 LYS A 136 68.62 -157.05
REMARK 500 PHE A 144 83.50 -68.26
REMARK 500 TYR A 145 40.99 -144.85
REMARK 500 PRO A 146 -84.69 -73.40
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS
REMARK 500
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH
REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED
REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.
REMARK 500 MODEL OMEGA
REMARK 500 PHE A 101 CYS A 102 -139.17
REMARK 500 LYS A 136 THR A 137 148.09
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 TYR A 94 0.12 SIDE CHAIN
REMARK 500 PHE A 120 0.08 SIDE CHAIN
REMARK 500 TYR A 142 0.21 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1SP0 A 2 164 UNP Q92RG6 COXZ_RHIME 36 198
SEQADV 1SP0 MET A 1 UNP Q92RG6 INITIATING METHIONINE
SEQRES 1 A 164 MET VAL PRO LEU TYR ASP MET PHE CYS ARG VAL THR GLY
SEQRES 2 A 164 TYR ASN GLY THR THR GLN ARG VAL GLU GLN ALA SER ASP
SEQRES 3 A 164 LEU ILE LEU ASP GLU LYS ILE LYS VAL THR PHE ASP ALA
SEQRES 4 A 164 ASN VAL ALA ALA GLY LEU PRO TRP GLU PHE VAL PRO VAL
SEQRES 5 A 164 GLN ARG ASP ILE ASP VAL ARG ILE GLY GLU THR VAL GLN
SEQRES 6 A 164 ILE MET TYR ARG ALA LYS ASN LEU ALA SER THR PRO THR
SEQRES 7 A 164 THR GLY GLN ALA THR PHE ASN VAL THR PRO MET ALA ALA
SEQRES 8 A 164 GLY ALA TYR PHE ASN LYS VAL GLN CYS PHE CYS PHE THR
SEQRES 9 A 164 GLU THR THR LEU GLU PRO GLY GLU GLU MET GLU MET PRO
SEQRES 10 A 164 VAL VAL PHE PHE VAL ASP PRO GLU ILE VAL LYS PRO VAL
SEQRES 11 A 164 GLU THR GLN GLY ILE LYS THR LEU THR LEU SER TYR THR
SEQRES 12 A 164 PHE TYR PRO ARG GLU PRO SER LYS PRO VAL ALA GLN VAL
SEQRES 13 A 164 LYS ALA LYS ALA GLU ASN LYS LEU
HELIX 1 1 PRO A 124 LYS A 128 5 5
SHEET 1 A 4 ASP A 55 ARG A 59 0
SHEET 2 A 4 LYS A 32 VAL A 41 -1 N VAL A 35 O ILE A 56
SHEET 3 A 4 LEU A 138 PHE A 144 1 O TYR A 142 N ASP A 38
SHEET 4 A 4 THR A 83 ASN A 85 -1 N THR A 83 O THR A 143
SHEET 1 B 4 TRP A 47 VAL A 50 0
SHEET 2 B 4 VAL A 64 ASN A 72 -1 O LYS A 71 N GLU A 48
SHEET 3 B 4 GLU A 113 VAL A 122 -1 O MET A 114 N ALA A 70
SHEET 4 B 4 PHE A 95 LYS A 97 -1 N ASN A 96 O PHE A 121
SHEET 1 C 2 THR A 78 THR A 79 0
SHEET 2 C 2 THR A 107 LEU A 108 -1 O LEU A 108 N THR A 78
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 - 2 20 Bytes