Header list of 1um1.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 22-SEP-03 1UM1
TITLE SOLUTION STRUCTURE OF RSGI RUH-007, PDZ DOMAIN IN HUMAN CDNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: KIAA1849 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ DOMAIN;
COMPND 5 SYNONYM: RSGI RUH-007;
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: KAZUSA CDNA KIAA1849;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021030-50;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN, HUMAN CDNA, STRUCTURAL GENOMICS, RIKEN STRUCTURAL
KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR Y.DOI-KATAYAMA,F.HAYASHI,H.HIROTA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1UM1 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1UM1 1 VERSN
REVDAT 1 22-MAR-04 1UM1 0
JRNL AUTH Y.DOI-KATAYAMA,F.HAYASHI,H.HIROTA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF RSGI RUH-007, A PDZ DOMAIN IN 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, CYANA 1.0.7
REMARK 3 AUTHORS : VARIAN (VNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UM1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-SEP-03.
REMARK 100 THE DEPOSITION ID IS D_1000005975.
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 : 0.7MM PDZ DOMAIN U-15N, 13C;
REMARK 210 20MM TRIS-HCL (PH 7.0); 100MM
REMARK 210 NACL; 0.02% NAN3; 90% H2O, 10%
REMARK 210 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 20020425, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.816, 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 : 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 : 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 H ASN A 65 O ARG A 89 1.53
REMARK 500 O ASP A 79 H HIS A 83 1.53
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 -58.36 -143.93
REMARK 500 1 SER A 3 156.33 62.50
REMARK 500 1 SER A 5 143.72 67.08
REMARK 500 1 ARG A 16 105.80 -38.68
REMARK 500 1 LEU A 21 -137.23 81.39
REMARK 500 1 LEU A 44 151.06 -41.17
REMARK 500 1 ASP A 59 155.83 -40.44
REMARK 500 1 LEU A 69 46.96 -104.79
REMARK 500 1 HIS A 83 35.78 -91.35
REMARK 500 1 LYS A 94 97.23 -66.70
REMARK 500 1 SER A 105 91.45 58.79
REMARK 500 1 SER A 108 113.49 59.72
REMARK 500 2 SER A 2 -58.43 -155.90
REMARK 500 2 ARG A 16 137.77 -38.30
REMARK 500 2 LEU A 21 -135.99 81.55
REMARK 500 2 LEU A 44 154.87 -48.31
REMARK 500 2 PRO A 45 -73.21 -75.00
REMARK 500 2 ASP A 59 154.65 -43.26
REMARK 500 2 HIS A 83 35.57 -91.35
REMARK 500 2 LYS A 86 -77.96 64.57
REMARK 500 3 SER A 2 126.04 63.31
REMARK 500 3 ARG A 16 101.50 -38.33
REMARK 500 3 LEU A 21 -160.56 77.86
REMARK 500 3 PRO A 45 -88.06 -75.00
REMARK 500 3 LEU A 55 102.56 -55.95
REMARK 500 3 LEU A 69 60.13 -107.30
REMARK 500 3 LEU A 70 -71.99 -104.60
REMARK 500 3 HIS A 83 35.86 -91.52
REMARK 500 3 LYS A 86 -61.59 69.31
REMARK 500 3 LYS A 94 96.82 -68.20
REMARK 500 3 SER A 108 -66.89 -103.56
REMARK 500 4 SER A 2 114.07 -172.31
REMARK 500 4 SER A 3 -60.91 -177.16
REMARK 500 4 SER A 5 -63.67 -127.16
REMARK 500 4 ARG A 16 103.12 -42.22
REMARK 500 4 LEU A 21 -165.03 80.11
REMARK 500 4 PRO A 45 -75.38 -74.97
REMARK 500 4 ASP A 59 174.90 -57.56
REMARK 500 4 LEU A 69 52.20 -92.71
REMARK 500 4 HIS A 83 35.33 -91.49
REMARK 500 4 SER A 108 92.66 43.23
REMARK 500 5 SER A 2 -63.84 -104.53
REMARK 500 5 SER A 3 97.30 -174.83
REMARK 500 5 ARG A 16 106.63 -38.60
REMARK 500 5 LEU A 21 -133.30 76.32
REMARK 500 5 LEU A 44 156.11 -49.29
REMARK 500 5 LEU A 55 108.29 -39.40
REMARK 500 5 ASP A 59 160.78 -41.12
REMARK 500 5 HIS A 83 35.79 -91.73
REMARK 500 5 SER A 105 97.04 48.57
REMARK 500
REMARK 500 THIS ENTRY HAS 181 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002001816.1 RELATED DB: TARGETDB
DBREF 1UM1 A 8 104 UNP Q96JH8 K1849_HUMAN 1012 1108
SEQADV 1UM1 GLY A 1 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 SER A 2 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 SER A 3 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 GLY A 4 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 SER A 5 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 SER A 6 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 GLY A 7 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 SER A 105 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 GLY A 106 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 PRO A 107 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 SER A 108 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 SER A 109 UNP Q96JH8 CLONING ARTIFACT
SEQADV 1UM1 GLY A 110 UNP Q96JH8 CLONING ARTIFACT
SEQRES 1 A 110 GLY SER SER GLY SER SER GLY TYR VAL PHE THR VAL GLU
SEQRES 2 A 110 LEU GLU ARG GLY PRO SER GLY LEU GLY MET GLY LEU ILE
SEQRES 3 A 110 ASP GLY MET HIS THR HIS LEU GLY ALA PRO GLY LEU TYR
SEQRES 4 A 110 ILE GLN THR LEU LEU PRO GLY SER PRO ALA ALA ALA ASP
SEQRES 5 A 110 GLY ARG LEU SER LEU GLY ASP ARG ILE LEU GLU VAL ASN
SEQRES 6 A 110 GLY SER SER LEU LEU GLY LEU GLY TYR LEU ARG ALA VAL
SEQRES 7 A 110 ASP LEU ILE ARG HIS GLY GLY LYS LYS MET ARG PHE LEU
SEQRES 8 A 110 VAL ALA LYS SER ASP VAL GLU THR ALA LYS LYS ILE HIS
SEQRES 9 A 110 SER GLY PRO SER SER GLY
HELIX 1 1 PRO A 48 ASP A 52 1 5
HELIX 2 1 TYR A 74 ARG A 82 1 9
HELIX 3 1 VAL A 97 ILE A 103 1 7
SHEET 1 A 3 VAL A 9 GLU A 15 0
SHEET 2 A 3 LYS A 87 ALA A 93 -1 O MET A 88 N LEU A 14
SHEET 3 A 3 ARG A 60 VAL A 64 -1 N ARG A 60 O ALA A 93
SHEET 1 B 2 MET A 23 ASP A 27 0
SHEET 2 B 2 LEU A 38 LEU A 43 -1 O TYR A 39 N ILE A 26
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