Header list of 1u97.pdb file
Complete list - r 2 2 Bytes
HEADER CHAPERONE 09-AUG-04 1U97
TITLE SOLUTION STRUCTURE OF APO YEAST COX17
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CYTOCHROME C OXIDASE COPPER CHAPERONE;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 GENE: COX17;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3)PLYSS;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET-3A
KEYWDS METALLOCHAPERONE, UNSTRUCTURED N-TERMINUS, TWO ALPHA-HELICES,
KEYWDS 2 CYTOCHROME C OXIDASE, CHAPERONE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR C.ABAJIAN,L.A.YATSUNYK,B.E.RAMIREZ,A.C.ROSENZWEIG
REVDAT 4 02-MAR-22 1U97 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1U97 1 VERSN
REVDAT 2 05-APR-05 1U97 1 JRNL
REVDAT 1 05-OCT-04 1U97 0
JRNL AUTH C.ABAJIAN,L.A.YATSUNYK,B.E.RAMIREZ,A.C.ROSENZWEIG
JRNL TITL YEAST COX17 SOLUTION STRUCTURE AND COPPER(I) BINDING.
JRNL REF J.BIOL.CHEM. V. 279 53584 2004
JRNL REFN ISSN 0021-9258
JRNL PMID 15465825
JRNL DOI 10.1074/JBC.M408099200
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1, ARIA 1.2
REMARK 3 AUTHORS : BRUNGER ET AL. (CNS), LINGE AND NILGES (ARIA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1U97 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-AUG-04.
REMARK 100 THE DEPOSITION ID IS D_1000023403.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 0
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM COX17 U-15N,13C; 20MM
REMARK 210 POTASSIUM PHOSPHATE, PH 6.0
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-EDITED_NOESY; 3D_13C
REMARK 210 -EDITED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : ARIA 1.2, FELIX 2000, VNMR 6.1B
REMARK 210 METHOD USED : RESTRAINED MOLECULAR DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 80
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST RETRAINT ENERGIES,
REMARK 210 RESTRAINT VIOLATIONS, AND RMS
REMARK 210 DEVIATIONS FROM IDEAL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NMR SAMPLES WERE REDUCED AND KEPT ANAEROBIC
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 GLN A 10 103.59 63.35
REMARK 500 1 ALA A 14 103.14 60.69
REMARK 500 1 CYS A 16 -1.43 -145.00
REMARK 500 1 CYS A 23 147.33 65.44
REMARK 500 1 CYS A 24 -99.01 61.46
REMARK 500 1 VAL A 25 -155.72 39.43
REMARK 500 1 CYS A 26 19.60 -162.63
REMARK 500 1 PHE A 39 -73.06 -70.03
REMARK 500 1 ASN A 40 19.26 -150.48
REMARK 500 1 GLN A 42 -80.45 63.95
REMARK 500 1 VAL A 65 129.04 62.51
REMARK 500 2 ASP A 5 151.20 63.92
REMARK 500 2 GLU A 9 -83.53 61.19
REMARK 500 2 CYS A 16 -179.47 -67.14
REMARK 500 2 GLU A 17 94.73 57.48
REMARK 500 2 PRO A 20 -171.04 -63.62
REMARK 500 2 CYS A 24 -82.76 -132.08
REMARK 500 2 VAL A 25 156.16 63.00
REMARK 500 2 GLU A 45 -23.31 -144.64
REMARK 500 2 TYR A 61 41.18 -102.21
REMARK 500 2 ALA A 68 135.24 64.89
REMARK 500 3 THR A 4 96.11 58.54
REMARK 500 3 LYS A 7 -175.17 -69.99
REMARK 500 3 GLN A 8 99.82 59.69
REMARK 500 3 GLU A 11 144.43 65.11
REMARK 500 3 HIS A 13 103.54 60.56
REMARK 500 3 CYS A 16 10.04 -149.59
REMARK 500 3 ASP A 18 102.27 60.23
REMARK 500 3 CYS A 23 -40.02 -147.79
REMARK 500 3 VAL A 25 -6.48 68.15
REMARK 500 3 CYS A 26 86.58 54.78
REMARK 500 3 ASP A 43 -72.23 68.58
REMARK 500 3 SER A 44 95.36 58.09
REMARK 500 3 CYS A 47 77.66 -119.61
REMARK 500 3 GLU A 64 177.09 -57.56
REMARK 500 3 SER A 67 -64.04 -102.43
REMARK 500 3 ALA A 68 -77.87 -102.45
REMARK 500 4 GLN A 8 100.51 60.95
REMARK 500 4 GLN A 10 -20.61 -163.17
REMARK 500 4 GLU A 15 -176.11 59.46
REMARK 500 4 LYS A 21 80.72 65.30
REMARK 500 4 VAL A 25 -164.48 42.34
REMARK 500 4 ASP A 43 98.04 58.76
REMARK 500 4 TYR A 61 -63.47 -93.64
REMARK 500 4 GLU A 64 -94.96 40.65
REMARK 500 4 ALA A 68 -54.21 -148.93
REMARK 500 5 THR A 2 -67.34 -121.32
REMARK 500 5 GLU A 3 -85.00 60.33
REMARK 500 5 THR A 4 -14.99 -140.73
REMARK 500 5 GLN A 8 82.01 55.51
REMARK 500
REMARK 500 THIS ENTRY HAS 223 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1U96 RELATED DB: PDB
REMARK 900 SOLUTION STRUCTURE OF YEAST COX17 WITH COPPER BOUND
DBREF 1U97 A 2 69 UNP Q12287 COX17_YEAST 1 68
SEQADV 1U97 MET A 1 UNP Q12287 INITIATING METHIONINE
SEQRES 1 A 69 MET THR GLU THR ASP LYS LYS GLN GLU GLN GLU ASN HIS
SEQRES 2 A 69 ALA GLU CYS GLU ASP LYS PRO LYS PRO CYS CYS VAL CYS
SEQRES 3 A 69 LYS PRO GLU LYS GLU GLU ARG ASP THR CYS ILE LEU PHE
SEQRES 4 A 69 ASN GLY GLN ASP SER GLU LYS CYS LYS GLU PHE ILE GLU
SEQRES 5 A 69 LYS TYR LYS GLU CYS MET LYS GLY TYR GLY PHE GLU VAL
SEQRES 6 A 69 PRO SER ALA ASN
HELIX 1 1 CYS A 26 ASN A 40 1 15
HELIX 2 2 CYS A 47 GLY A 62 1 16
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
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