Header list of 1vej.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-MAR-04 1VEJ
TITLE SOLUTION STRUCTURE OF RSGI RUH-016, A UBA DOMAIN FROM MOUSE CDNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RIKEN CDNA 4931431F19;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: UBA DOMAIN;
COMPND 5 SYNONYM: RIKEN CDNA 4931431F;
COMPND 6 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;
SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE;
SOURCE 4 ORGANISM_TAXID: 10090;
SOURCE 5 GENE: MUS MUSCULUS RIKEN CDNA 4931431F19 GENE (4931431F19RIK), MRNA;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030324-24;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS SYSTEM
KEYWDS UBA DOMAIN, THREE HELIX BUNDLE, UBIQUITIN ASSOCIATED DOMAIN,
KEYWDS 2 STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 3 INITIATIVE, RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR Y.HIGUCHI,T.ABE,H.HIROTA,F.HAYASHI,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1VEJ 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1VEJ 1 VERSN
REVDAT 1 31-MAY-05 1VEJ 0
JRNL AUTH Y.HIGUCHI,T.ABE,H.HIROTA,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-016, A UBA DOMAIN FROM MOUSE
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, CYANA 1.0.8
REMARK 3 AUTHORS : VARIAN (VNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1VEJ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 05-APR-04.
REMARK 100 THE DEPOSITION ID IS D_1000006529.
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 : 100MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.17MM UBA DOMAIN U-15N, 13C;
REMARK 210 20MM PINA; 100MM NACL; 1MM D-DTT;
REMARK 210 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 0.893
REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION
REMARK 210 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, STRUCTURES
REMARK 210 WITH THE LOWEST ENERGY, TARGET
REMARK 210 FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY.
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 GLU A 35 H ALA A 38 1.48
REMARK 500 O LEU A 51 H GLY A 56 1.53
REMARK 500 O ASN A 43 H ASN A 47 1.54
REMARK 500 O ILE A 58 H ILE A 62 1.58
REMARK 500 OD1 ASN A 43 H ALA A 46 1.58
REMARK 500 O ARG A 44 H LEU A 48 1.59
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 -46.37 -165.26
REMARK 500 1 SER A 5 141.97 179.94
REMARK 500 1 ALA A 8 93.87 57.49
REMARK 500 1 ARG A 9 169.64 59.12
REMARK 500 1 CYS A 11 126.84 67.20
REMARK 500 1 SER A 12 89.00 -166.49
REMARK 500 1 GLN A 16 -66.00 -164.51
REMARK 500 1 TYR A 29 41.97 -108.38
REMARK 500 1 ALA A 42 -38.29 179.67
REMARK 500 1 ASN A 43 84.29 -60.14
REMARK 500 1 GLN A 49 -36.20 -39.88
REMARK 500 1 ALA A 68 63.81 -111.73
REMARK 500 1 SER A 73 -58.23 -173.53
REMARK 500 2 SER A 3 97.18 -62.90
REMARK 500 2 CYS A 11 130.21 -174.77
REMARK 500 2 SER A 14 -54.41 -136.61
REMARK 500 2 SER A 15 163.19 60.43
REMARK 500 2 GLN A 16 -54.18 -134.43
REMARK 500 2 THR A 17 -102.64 53.56
REMARK 500 2 ALA A 18 135.04 82.48
REMARK 500 2 TYR A 29 41.05 -94.32
REMARK 500 2 PHE A 41 -156.10 -147.13
REMARK 500 2 ALA A 42 -51.72 179.96
REMARK 500 2 ASN A 43 96.11 -44.91
REMARK 500 2 GLN A 49 -36.89 -37.89
REMARK 500 2 ASP A 55 7.23 80.19
REMARK 500 2 ALA A 68 -72.25 -76.58
REMARK 500 2 SER A 69 117.23 75.40
REMARK 500 3 SER A 3 -53.65 -127.63
REMARK 500 3 SER A 5 -91.79 59.80
REMARK 500 3 ALA A 8 91.32 49.45
REMARK 500 3 ARG A 9 117.76 -176.24
REMARK 500 3 ALA A 10 167.58 64.43
REMARK 500 3 GLN A 16 -58.62 174.78
REMARK 500 3 TYR A 29 48.80 -100.98
REMARK 500 3 PHE A 41 -158.37 -145.74
REMARK 500 3 ALA A 42 -53.33 -176.00
REMARK 500 3 ASN A 43 97.04 -43.22
REMARK 500 3 ALA A 68 -71.59 -72.05
REMARK 500 3 SER A 72 123.64 -171.67
REMARK 500 3 SER A 73 113.58 59.16
REMARK 500 4 SER A 2 -61.44 -136.57
REMARK 500 4 SER A 3 84.13 -176.75
REMARK 500 4 SER A 5 -58.58 178.68
REMARK 500 4 SER A 6 103.98 60.91
REMARK 500 4 ALA A 8 83.32 -158.66
REMARK 500 4 CYS A 11 150.21 62.22
REMARK 500 4 SER A 12 127.47 -170.87
REMARK 500 4 SER A 15 87.49 66.62
REMARK 500 4 GLN A 16 76.63 -169.81
REMARK 500
REMARK 500 THIS ENTRY HAS 275 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007005678 RELATED DB: TARGETDB
DBREF 1VEJ A 8 68 UNP Q9D4I8 Q9D4I8_MOUSE 447 507
SEQADV 1VEJ GLY A 1 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ SER A 2 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ SER A 3 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ GLY A 4 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ SER A 5 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ SER A 6 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ GLY A 7 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ SER A 69 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ GLY A 70 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ PRO A 71 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ SER A 72 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ SER A 73 UNP Q9D4I8 CLONING ARTIFACT
SEQADV 1VEJ GLY A 74 UNP Q9D4I8 CLONING ARTIFACT
SEQRES 1 A 74 GLY SER SER GLY SER SER GLY ALA ARG ALA CYS SER GLN
SEQRES 2 A 74 SER SER GLN THR ALA LEU PRO THR SER LEU PHE THR GLU
SEQRES 3 A 74 GLY ARG TYR GLN GLN GLU LEU GLU GLU LEU LYS ALA LEU
SEQRES 4 A 74 GLY PHE ALA ASN ARG ASP ALA ASN LEU GLN ALA LEU VAL
SEQRES 5 A 74 ALA THR ASP GLY ASP ILE HIS ALA ALA ILE GLU MET LEU
SEQRES 6 A 74 LEU GLY ALA SER GLY PRO SER SER GLY
HELIX 1 1 THR A 21 THR A 25 5 5
HELIX 2 2 TYR A 29 GLY A 40 1 12
HELIX 3 3 ASN A 43 THR A 54 1 12
HELIX 4 4 ASP A 57 GLY A 67 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 2 2 Bytes