Header list of 1wju.pdb file
Complete list - r 2 2 Bytes
HEADER PROTEIN BINDING 29-MAY-04 1WJU
TITLE SOLUTION STRUCTURE OF N-TERMINAL UBIQUITIN-LIKE DOMAIN OF HUMAN NEDD8
TITLE 2 ULTIMATE BUSTER-1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: NEDD8 ULTIMATE BUSTER-1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: UBIQUITIN-LIKE DOMAIN;
COMPND 5 SYNONYM: NY-REN-18 ANTIGEN;
COMPND 6 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: IMS CDNA SYN05355;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040301-74;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS UBIQUITIN-LIKE DOMAIN, NEDD8 ULTIMATE BUSTER-1, STRUCTURAL GENOMICS,
KEYWDS 2 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, PROTEIN
KEYWDS 3 BINDING
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR M.YONEYAMA,S.KOSHIBA,N.TOCHIO,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 4 02-MAR-22 1WJU 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1WJU 1 VERSN
REVDAT 2 17-JAN-06 1WJU 1 TITLE JRNL
REVDAT 1 29-NOV-04 1WJU 0
JRNL AUTH M.YONEYAMA,S.KOSHIBA,N.TOCHIO,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF N-TERMINAL UBIQUITIN-LIKE DOMAIN OF
JRNL TITL 2 HUMAN NEDD8 ULTIMATE BUSTER-1
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : NMRPIPE 20020425, CYANA 1.0.8
REMARK 3 AUTHORS : DELAGLIO, F. (NMRPIPE), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WJU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023654.
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
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM UBIQUITIN-LIKE DOMAIN U-15N,
REMARK 210 13C; 20MM D-TRIS-HCL; 100MM NACL;
REMARK 210 1MM D-DTT; 0.02% NAN3; 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 700 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRVIEW 5.0.4, KUJIRA 0.896,
REMARK 210 CYANA 1.0.8, XWINNMR 3.5
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 : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, TARGET
REMARK 210 FUNCTION
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 LYS A 48 H THR A 52 1.48
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 2 141.29 62.89
REMARK 500 1 SER A 6 162.86 66.66
REMARK 500 1 ASN A 9 -51.41 -147.67
REMARK 500 1 ARG A 11 137.33 178.96
REMARK 500 1 ARG A 25 -47.10 -134.15
REMARK 500 1 LYS A 27 100.93 53.08
REMARK 500 1 ARG A 30 -173.49 -54.30
REMARK 500 1 ALA A 50 -70.51 -49.02
REMARK 500 1 LYS A 66 28.04 43.21
REMARK 500 1 ALA A 81 -166.51 -107.64
REMARK 500 2 SER A 2 142.97 66.16
REMARK 500 2 ASN A 9 -55.87 -178.29
REMARK 500 2 TYR A 10 98.53 49.92
REMARK 500 2 ARG A 11 159.13 178.12
REMARK 500 2 THR A 12 87.17 40.26
REMARK 500 2 LEU A 26 -75.62 -121.30
REMARK 500 2 LYS A 27 83.95 71.39
REMARK 500 2 ALA A 50 -70.98 -40.28
REMARK 500 2 LYS A 66 27.08 46.60
REMARK 500 2 ASN A 83 73.87 70.23
REMARK 500 2 LEU A 91 170.86 -53.63
REMARK 500 2 GLN A 93 85.12 -178.36
REMARK 500 2 SER A 95 164.96 63.78
REMARK 500 2 SER A 98 155.28 65.05
REMARK 500 2 SER A 99 92.34 62.07
REMARK 500 3 SER A 2 164.45 176.31
REMARK 500 3 SER A 3 -59.29 80.15
REMARK 500 3 SER A 5 113.67 -173.64
REMARK 500 3 ASP A 8 -71.64 67.79
REMARK 500 3 ASN A 9 122.97 61.86
REMARK 500 3 ARG A 25 -44.34 -132.16
REMARK 500 3 LYS A 27 96.82 49.34
REMARK 500 3 ASP A 29 121.52 71.75
REMARK 500 3 LYS A 31 82.65 -179.19
REMARK 500 3 LYS A 48 -70.05 -60.66
REMARK 500 3 ALA A 50 -70.65 -57.17
REMARK 500 3 ALA A 81 -100.14 -111.90
REMARK 500 3 SER A 95 100.81 55.62
REMARK 500 3 SER A 98 170.37 65.48
REMARK 500 3 SER A 99 -58.71 -129.53
REMARK 500 4 SER A 5 86.05 -155.96
REMARK 500 4 SER A 6 81.40 176.39
REMARK 500 4 ASP A 8 120.32 -171.24
REMARK 500 4 ARG A 11 115.23 -160.09
REMARK 500 4 THR A 12 86.59 -63.20
REMARK 500 4 ARG A 25 -31.38 168.70
REMARK 500 4 LEU A 26 -67.74 -103.26
REMARK 500 4 LYS A 27 90.89 42.13
REMARK 500 4 ARG A 30 173.25 54.49
REMARK 500 4 LYS A 31 177.61 -51.53
REMARK 500
REMARK 500 THIS ENTRY HAS 294 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSS001003749.1 RELATED DB: TARGETDB
DBREF 1WJU A 8 94 UNP Q9Y5A7 NUB1_HUMAN 75 161
SEQADV 1WJU GLY A 1 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU SER A 2 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU SER A 3 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU GLY A 4 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU SER A 5 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU SER A 6 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU GLY A 7 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU SER A 95 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU GLY A 96 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU PRO A 97 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU SER A 98 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU SER A 99 UNP Q9Y5A7 CLONING ARTIFACT
SEQADV 1WJU GLY A 100 UNP Q9Y5A7 CLONING ARTIFACT
SEQRES 1 A 100 GLY SER SER GLY SER SER GLY ASP ASN TYR ARG THR THR
SEQRES 2 A 100 GLY ILE ALA THR ILE GLU VAL PHE LEU PRO PRO ARG LEU
SEQRES 3 A 100 LYS LYS ASP ARG LYS ASN LEU LEU GLU THR ARG LEU HIS
SEQRES 4 A 100 ILE THR GLY ARG GLU LEU ARG SER LYS ILE ALA GLU THR
SEQRES 5 A 100 PHE GLY LEU GLN GLU ASN TYR ILE LYS ILE VAL ILE ASN
SEQRES 6 A 100 LYS LYS GLN LEU GLN LEU GLY LYS THR LEU GLU GLU GLN
SEQRES 7 A 100 GLY VAL ALA HIS ASN VAL LYS ALA MET VAL LEU GLU LEU
SEQRES 8 A 100 LYS GLN SER SER GLY PRO SER SER GLY
HELIX 1 1 THR A 41 PHE A 53 1 13
HELIX 2 2 THR A 74 GLY A 79 1 6
SHEET 1 A 5 ASN A 32 ARG A 37 0
SHEET 2 A 5 ILE A 15 PHE A 21 -1 N ILE A 18 O LEU A 34
SHEET 3 A 5 VAL A 84 LEU A 89 1 O ALA A 86 N GLU A 19
SHEET 4 A 5 LYS A 61 ILE A 64 -1 N VAL A 63 O MET A 87
SHEET 5 A 5 LYS A 67 GLN A 68 -1 O LYS A 67 N ILE A 64
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 2 2 Bytes