Header list of 2cpw.pdb file
Complete list - r 9 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-MAY-05 2CPW
TITLE SOLUTION STRUCTURE OF RSGI RUH-031, A UBA DOMAIN FROM HUMAN CDNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: CBL-INTERACTING PROTEIN STS-1 VARIANT;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: UBA DOMAIN;
COMPND 5 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 GENE: GENBANK/AB075839;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040614-08;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS UBIQUITIN ASSOCIATED DOMAIN, UBA, COMPACT THREE HELIX BUNDLE,
KEYWDS 2 STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL
KEYWDS 3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 4 INITIATIVE, RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR A.Z.M.RUHUL MOMEN,H.ONUKI,H.HIROTA,F.HAYASHI,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CPW 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CPW 1 VERSN
REVDAT 1 19-NOV-05 2CPW 0
JRNL AUTH A.Z.M.RUHUL MOMEN,H.ONUKI,H.HIROTA,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-031, A UBA DOMAIN FROM HUMAN
JRNL TITL 2 CDNA
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : VNMR 6.1C
REMARK 3 AUTHORS : VARIAN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2CPW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024487.
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 : 120MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.01MM DOMAIN U 15N, 13C; 20MM D
REMARK 210 -TRIS-HCL (PH 7.0); 100MM NACL;
REMARK 210 1MM D-DTT; 0.02% NAN3; 10% D2O.
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20031121, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.9295, CYANA 1.0.7
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION, STRUCTURES WITH
REMARK 210 THE LOWEST ENERGY, STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
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 ALA A 51 H LEU A 55 1.52
REMARK 500 O ALA A 36 H LEU A 40 1.53
REMARK 500 O SER A 21 H VAL A 25 1.57
REMARK 500 O ARG A 33 H GLN A 37 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 SER A 2 151.16 64.14
REMARK 500 1 SER A 3 170.57 63.01
REMARK 500 1 SER A 5 81.34 -179.00
REMARK 500 1 ARG A 8 96.69 62.60
REMARK 500 1 ARG A 10 -56.70 76.12
REMARK 500 1 GLN A 11 115.91 61.30
REMARK 500 1 THR A 43 32.91 -91.36
REMARK 500 1 SER A 62 102.19 -49.30
REMARK 500 2 SER A 3 -58.66 -124.23
REMARK 500 2 SER A 6 149.79 -173.94
REMARK 500 2 ARG A 8 -56.61 -177.38
REMARK 500 2 ARG A 10 89.65 -177.09
REMARK 500 2 THR A 43 32.89 -91.36
REMARK 500 2 SER A 57 103.39 -44.81
REMARK 500 2 SER A 59 117.13 -163.16
REMARK 500 2 SER A 62 86.79 -156.61
REMARK 500 2 SER A 63 -58.51 -122.61
REMARK 500 3 SER A 6 -58.38 -169.53
REMARK 500 3 ARG A 8 86.25 43.50
REMARK 500 3 GLN A 11 119.47 -179.20
REMARK 500 3 ARG A 13 148.88 64.54
REMARK 500 3 LYS A 18 162.17 66.43
REMARK 500 3 THR A 43 31.41 -91.57
REMARK 500 3 SER A 59 89.04 39.45
REMARK 500 3 SER A 63 83.50 42.50
REMARK 500 4 SER A 6 153.42 -40.40
REMARK 500 4 ARG A 8 -60.48 -131.59
REMARK 500 4 GLN A 11 -57.94 -131.64
REMARK 500 4 LYS A 18 80.06 55.05
REMARK 500 4 THR A 43 32.93 -90.80
REMARK 500 4 SER A 57 84.27 39.47
REMARK 500 4 HIS A 58 -63.51 -91.06
REMARK 500 4 SER A 63 79.38 51.62
REMARK 500 5 SER A 2 -58.48 -132.39
REMARK 500 5 SER A 3 -58.46 -150.72
REMARK 500 5 SER A 5 84.96 -179.24
REMARK 500 5 SER A 6 -58.63 -122.49
REMARK 500 5 HIS A 19 148.08 66.96
REMARK 500 5 THR A 43 32.82 -99.00
REMARK 500 5 SER A 57 84.05 49.08
REMARK 500 5 SER A 59 89.43 -164.04
REMARK 500 6 SER A 5 108.90 59.61
REMARK 500 6 SER A 6 -58.43 -161.08
REMARK 500 6 ARG A 10 90.95 41.39
REMARK 500 6 ARG A 13 148.81 178.57
REMARK 500 6 LYS A 18 64.32 -155.01
REMARK 500 6 THR A 43 32.78 -95.63
REMARK 500 6 LEU A 55 -70.61 -40.70
REMARK 500 6 SER A 57 162.82 -46.57
REMARK 500 6 HIS A 58 87.74 -166.45
REMARK 500
REMARK 500 THIS ENTRY HAS 164 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSS001001596.1 RELATED DB: TARGETDB
DBREF 2CPW A 8 58 UNP Q53GT8 Q53GT8_HUMAN 26 76
SEQADV 2CPW GLY A 1 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW SER A 2 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW SER A 3 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW GLY A 4 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW SER A 5 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW SER A 6 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW GLY A 7 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW SER A 59 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW GLY A 60 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW PRO A 61 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW SER A 62 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW SER A 63 UNP Q53GT8 CLONING ARTIFACT
SEQADV 2CPW GLY A 64 UNP Q53GT8 CLONING ARTIFACT
SEQRES 1 A 64 GLY SER SER GLY SER SER GLY ARG ASN ARG GLN GLN ARG
SEQRES 2 A 64 PRO GLY THR ILE LYS HIS GLY SER ALA LEU ASP VAL LEU
SEQRES 3 A 64 LEU SER MET GLY PHE PRO ARG ALA ARG ALA GLN LYS ALA
SEQRES 4 A 64 LEU ALA SER THR GLY GLY ARG SER VAL GLN THR ALA CYS
SEQRES 5 A 64 ASP TRP LEU PHE SER HIS SER GLY PRO SER SER GLY
HELIX 1 1 SER A 21 GLY A 30 1 10
HELIX 2 2 PRO A 32 THR A 43 1 12
HELIX 3 3 SER A 47 SER A 57 1 11
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 9 2 Bytes