Header list of 2c7h.pdb file
Complete list - r 25 2 Bytes
HEADER UBIQUITIN-LIKE PROTEIN 24-NOV-05 2C7H
TITLE SOLUTION NMR STRUCTURE OF THE DWNN DOMAIN FROM HUMAN RBBP6
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RETINOBLASTOMA-BINDING PROTEIN 6, ISOFORM 3;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: DWNN, RESIDUES 1-81;
COMPND 5 SYNONYM: RBBP6;
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: N-TERMINAL 5 RESIDUES ARE ARTIFACTS OF THE
COMPND 8 PGEX-6P-2 CLONING VECTOR
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 8 EXPRESSION_SYSTEM_VARIANT: (DE3) PLYSS;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-2
KEYWDS RBBP6, P53-ASSOCIATED, MRNA PROCESSING,
KEYWDS 2 SPLICING-ASSOCIATED, OESOPHAGEAL CANCER, UBIQUITIN-LIKE
KEYWDS 3 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 25
AUTHOR D.J.R.PUGH,E.AB,A.FARO,P.T.LUTYA,E.HOFFMANN,D.J.G.REES
REVDAT 2 24-FEB-09 2C7H 1 VERSN
REVDAT 1 19-JAN-06 2C7H 0
JRNL AUTH D.J.R.PUGH,E.AB,A.FARO,P.T.LUTYA,E.HOFFMANN,
JRNL AUTH 2 D.J.G.REES
JRNL TITL DWNN, A NOVEL UBIQUITIN-LIKE DOMAIN, IMPLICATES
JRNL TITL 2 RBBP6 IN MRNA PROCESSING AND UBIQUITIN-LIKE
JRNL TITL 3 PATHWAYS
JRNL REF BMC STRUCT.BIOL. V. 6 1 2006
JRNL REFN ISSN 1472-6807
JRNL PMID 16396680
JRNL DOI 10.1186/1472-6807-6-1
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE-
REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,
REMARK 3 RICE,SIMONSON,WARREN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE FINAL SET OF NOE-BASED
REMARK 3 RESTRAINTS, TOGETHER WITH DIHEDRAL RESTRAINTS FOR 90 RESIDUES,
REMARK 3 WERE USED FOR REFINEMENT IN EXPLICIT SOLVENT USING CNS,
REMARK 3 ACCORDING TO THE STANDARD RECOORD PROTOCOL.
REMARK 4
REMARK 4 2C7H COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 25-NOV-05.
REMARK 100 THE PDBE ID CODE IS EBI-26434.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298.0
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 150MM
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : 95% WATER/5% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : HNCO; CBCACONH; CBCANH;
REMARK 210 HCCH-TOCSY; HCCH-COSY; HNH-
REMARK 210 HSQC-TOCSY; HNH-HSQC-NOESY;
REMARK 210 HCH-HSQC-NOESY; HH-NOESY;
REMARK 210 HMQC-J; HN-EXCHANGE, HH-
REMARK 210 NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600
REMARK 210 SPECTROMETER MODEL : UNITY INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW, CANDID, CYANA,
REMARK 210 CNS, RECOORD
REMARK 210 METHOD USED : AUTOMATED NOE ASSIGNMENT
REMARK 210 USING CANDID
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 25
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 18
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE
REMARK 210 NMR SPECTROSCOPY ON A 15N,13C-LABELLED SAMPLE.
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 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 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 27 -41.08 -152.58
REMARK 500 1 LYS A 43 72.30 77.75
REMARK 500 2 PRO A 2 -157.01 -93.95
REMARK 500 3 LEU A 27 -41.32 -148.50
REMARK 500 5 MET A 6 -170.87 64.25
REMARK 500 5 LEU A 17 -52.78 74.04
REMARK 500 5 LYS A 43 70.93 60.75
REMARK 500 7 SER A 5 80.45 57.47
REMARK 500 7 LEU A 17 -51.78 73.65
REMARK 500 7 LYS A 43 70.14 80.40
REMARK 500 8 MET A 6 98.67 55.94
REMARK 500 8 LYS A 16 -39.23 -177.81
REMARK 500 8 LEU A 17 -52.53 76.71
REMARK 500 8 LYS A 43 45.02 71.75
REMARK 500 10 PRO A 2 41.86 -82.57
REMARK 500 10 LEU A 27 -45.75 -140.90
REMARK 500 10 ASP A 48 -40.84 -130.23
REMARK 500 11 LEU A 27 -42.45 -145.02
REMARK 500 11 ASP A 48 -47.20 -133.36
REMARK 500 12 PRO A 2 47.84 -76.54
REMARK 500 12 SER A 5 -62.03 -165.87
REMARK 500 12 ASP A 48 -45.19 -130.57
REMARK 500 13 LYS A 43 65.63 75.37
REMARK 500 14 MET A 6 -164.13 60.20
REMARK 500 15 MET A 6 173.73 63.96
REMARK 500 16 SER A 5 24.03 -149.62
REMARK 500 16 MET A 6 113.13 58.85
REMARK 500 16 LYS A 43 66.96 66.93
REMARK 500 16 THR A 63 -36.80 74.41
REMARK 500 17 LYS A 43 68.50 66.22
REMARK 500 19 LYS A 43 62.29 71.71
REMARK 500 20 LEU A 27 -45.23 -131.48
REMARK 500 20 LYS A 43 68.23 67.35
REMARK 500 21 PRO A 2 -70.76 -67.53
REMARK 500 21 SER A 5 35.47 -144.83
REMARK 500 21 LYS A 43 65.92 71.21
REMARK 500 22 LEU A 27 -41.11 -149.14
REMARK 500 24 SER A 5 85.31 62.53
REMARK 500 24 LEU A 17 -47.31 71.89
REMARK 500 24 LYS A 43 67.06 76.66
REMARK 500 25 LYS A 43 66.13 61.27
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 4 ARG A 79 0.09 SIDE CHAIN
REMARK 500 14 ARG A 41 0.08 SIDE CHAIN
REMARK 500 20 ARG A 41 0.12 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CHIRAL CENTERS
REMARK 500
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY
REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)
REMARK 500
REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS
REMARK 500 12 LYS A 43 25.0 L L OUTSIDE RANGE
REMARK 500
REMARK 500 REMARK: NULL
DBREF 2C7H A 1 5 PDB 2C7H 2C7H 1 5
DBREF 2C7H A 6 86 UNP Q8N0V2 Q8N0V2_HUMAN 1 81
SEQRES 1 A 86 GLY PRO LEU GLY SER MET SER CYS VAL HIS TYR LYS PHE
SEQRES 2 A 86 SER SER LYS LEU ASN TYR ASP THR VAL THR PHE ASP GLY
SEQRES 3 A 86 LEU HIS ILE SER LEU CYS ASP LEU LYS LYS GLN ILE MET
SEQRES 4 A 86 GLY ARG GLU LYS LEU LYS ALA ALA ASP CYS ASP LEU GLN
SEQRES 5 A 86 ILE THR ASN ALA GLN THR LYS GLU GLU TYR THR ASP ASP
SEQRES 6 A 86 ASN ALA LEU ILE PRO LYS ASN SER SER VAL ILE VAL ARG
SEQRES 7 A 86 ARG ILE PRO ILE GLY GLY VAL LYS
HELIX 1 1 LEU A 31 LYS A 43 1 13
SHEET 1 AA 5 TYR A 19 PHE A 24 0
SHEET 2 AA 5 SER A 7 PHE A 13 -1 O SER A 7 N PHE A 24
SHEET 3 AA 5 VAL A 75 PRO A 81 1 O VAL A 75 N LYS A 12
SHEET 4 AA 5 CYS A 49 ASN A 55 -1 O ASP A 50 N ILE A 80
SHEET 5 AA 5 GLU A 61 TYR A 62 -1 O TYR A 62 N ILE A 53
SHEET 1 AB 2 HIS A 28 SER A 30 0
SHEET 2 AB 2 LEU A 68 PRO A 70 -1 O ILE A 69 N ILE A 29
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 25 2 Bytes