Header list of 2d9i.pdb file
Complete list - r 9 2 Bytes
HEADER APOPTOSIS 09-DEC-05 2D9I
TITLE SOLUTION STRUCTURE OF THE SMR DOMAIN OF NEDD4-BINDING PROTEIN 2
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NEDD4-BINDING PROTEIN 2;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: SMR DOMAIN;
COMPND 5 SYNONYM: N4BP2, BCL-3-BINDING PROTEIN;
COMPND 6 EC: 3.-.-.-;
COMPND 7 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: N4BP2;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050627-22;
SOURCE 8 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS SMR DOMAIN, NEDD4-BINDING PROTEIN 2, N4BP2, BCL-3 BINDING PROTEIN,
KEYWDS 2 STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL
KEYWDS 3 AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 4 INITIATIVE, RSGI, APOPTOSIS
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR H.P.ZHANG,C.KUROSAKI,M.YOSHIDA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2D9I 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2D9I 1 VERSN
REVDAT 1 09-JUN-06 2D9I 0
JRNL AUTH H.P.ZHANG,C.KUROSAKI,M.YOSHIDA,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE SMR DOMAIN OF NEDD4-BINDING
JRNL TITL 2 PROTEIN 2
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, CYANA 2.0.17
REMARK 3 AUTHORS : VARIAN (VNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2D9I COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 15-DEC-05.
REMARK 100 THE DEPOSITION ID IS D_1000025153.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 7.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 0.99MM 13C, 15N-LABELED PROTEIN;
REMARK 210 20MM D-TRIS-HCL(PH7.0);100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ
REMARK 210 SPECTROMETER MODEL : INOVA; ECA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN; JEOL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DELTA NMR 4.3, NMRPIPE 20031121,
REMARK 210 NMRVIEW 5.0.4, KUJIRA 0.93191,
REMARK 210 CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGALE 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: SPECTROMETER_ID 1 FOR 3D_15N_SEPARATED_NOESY;
REMARK 210 SPECTROMETER_ID 2 FOR 3D_13C_SEPARATED_NOESY
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 ASN A 39 -67.97 -97.85
REMARK 500 1 PRO A 43 0.68 -69.77
REMARK 500 1 PRO A 82 3.11 -69.76
REMARK 500 1 PRO A 93 -171.50 -69.73
REMARK 500 2 ASN A 39 -68.17 -94.88
REMARK 500 2 PRO A 43 1.31 -69.73
REMARK 500 2 PRO A 82 3.13 -69.76
REMARK 500 3 LYS A 37 -66.59 -93.33
REMARK 500 3 PRO A 82 3.23 -69.73
REMARK 500 4 THR A 33 -30.67 -39.01
REMARK 500 4 PRO A 82 3.37 -69.78
REMARK 500 5 PRO A 82 3.09 -69.75
REMARK 500 5 PRO A 93 95.44 -69.80
REMARK 500 6 ASN A 39 -68.08 -97.63
REMARK 500 6 PRO A 82 3.53 -69.81
REMARK 500 7 HIS A 54 -60.75 -92.81
REMARK 500 7 PRO A 82 3.31 -69.81
REMARK 500 8 ASN A 39 -67.14 -91.31
REMARK 500 8 PRO A 43 2.40 -69.76
REMARK 500 8 PRO A 82 82.78 -69.78
REMARK 500 8 PRO A 93 0.67 -69.76
REMARK 500 8 SER A 94 104.29 -57.27
REMARK 500 9 PRO A 43 2.84 -69.79
REMARK 500 9 PRO A 82 79.62 -69.75
REMARK 500 9 PRO A 93 91.71 -69.75
REMARK 500 10 ALA A 21 -37.56 -35.81
REMARK 500 10 ASN A 39 -66.09 -96.09
REMARK 500 10 PRO A 43 0.40 -69.78
REMARK 500 10 PRO A 82 2.80 -69.76
REMARK 500 10 PRO A 93 2.35 -69.76
REMARK 500 11 ALA A 21 -36.67 -36.15
REMARK 500 11 PRO A 82 3.62 -69.75
REMARK 500 12 ASN A 39 -68.11 -91.07
REMARK 500 12 PRO A 82 90.67 -69.81
REMARK 500 13 PRO A 82 3.81 -69.73
REMARK 500 14 PRO A 43 2.66 -69.76
REMARK 500 14 PRO A 82 4.03 -69.78
REMARK 500 15 PRO A 43 3.12 -69.75
REMARK 500 15 GLN A 56 -34.08 -39.43
REMARK 500 15 PRO A 82 4.03 -69.71
REMARK 500 16 ASN A 39 -68.19 -92.32
REMARK 500 16 PRO A 43 0.59 -69.77
REMARK 500 16 PRO A 82 2.84 -69.77
REMARK 500 16 PRO A 93 2.29 -69.75
REMARK 500 17 ASN A 39 -68.09 -92.76
REMARK 500 17 PRO A 43 2.90 -69.76
REMARK 500 17 PRO A 82 3.53 -69.73
REMARK 500 17 PRO A 93 97.01 -69.77
REMARK 500 18 GLU A 30 -63.96 -95.82
REMARK 500 18 ASN A 39 -67.78 -92.81
REMARK 500
REMARK 500 THIS ENTRY HAS 59 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002101385.1 RELATED DB: TARGETDB
DBREF 2D9I A 8 90 UNP Q86UW6 N4BP2_HUMAN 1688 1770
SEQADV 2D9I GLY A 1 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I SER A 2 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I SER A 3 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I GLY A 4 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I SER A 5 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I SER A 6 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I GLY A 7 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I SER A 91 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I GLY A 92 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I PRO A 93 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I SER A 94 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I SER A 95 UNP Q86UW6 CLONING ARTIFACT
SEQADV 2D9I GLY A 96 UNP Q86UW6 CLONING ARTIFACT
SEQRES 1 A 96 GLY SER SER GLY SER SER GLY GLN ASN VAL LEU ASP LEU
SEQRES 2 A 96 HIS GLY LEU HIS VAL ASP GLU ALA LEU GLU HIS LEU MET
SEQRES 3 A 96 ARG VAL LEU GLU LYS LYS THR GLU GLU PHE LYS GLN ASN
SEQRES 4 A 96 GLY GLY LYS PRO TYR LEU SER VAL ILE THR GLY ARG GLY
SEQRES 5 A 96 ASN HIS SER GLN GLY GLY VAL ALA ARG ILE LYS PRO ALA
SEQRES 6 A 96 VAL ILE LYS TYR LEU ILE SER HIS SER PHE ARG PHE SER
SEQRES 7 A 96 GLU ILE LYS PRO GLY CYS LEU LYS VAL MET LEU LYS SER
SEQRES 8 A 96 GLY PRO SER SER GLY
HELIX 1 1 HIS A 17 ASN A 39 1 23
HELIX 2 2 GLY A 52 GLN A 56 5 5
HELIX 3 3 ARG A 61 HIS A 73 1 13
SHEET 1 A 4 VAL A 10 ASP A 12 0
SHEET 2 A 4 TYR A 44 ILE A 48 1 O SER A 46 N LEU A 11
SHEET 3 A 4 LEU A 85 MET A 88 -1 O VAL A 87 N LEU A 45
SHEET 4 A 4 PHE A 77 SER A 78 -1 N SER A 78 O LYS A 86
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