Header list of 1uf1.pdb file
Complete list - r 2 2 Bytes
HEADER PROTEIN BINDING 22-MAY-03 1UF1
TITLE SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF HUMAN KIAA1526 PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: KIAA1526 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PDZ 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: KAZUSA CDNA FJ04743;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASIMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P021030-47;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS PDZ DOMAIN, STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 2 INITIATIVE, RSGI, PROTEIN BINDING
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.SAITO,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1UF1 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1UF1 1 VERSN
REVDAT 1 22-NOV-03 1UF1 0
JRNL AUTH K.SAITO,T.KIGAWA,S.KOSHIBA,M.INOUE,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE SECOND PDZ DOMAIN OF HUMAN
JRNL TITL 2 KIAA1526 PROTEIN
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : CNS 1.1
REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE
REMARK 3 -KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ,RICE,
REMARK 3 SIMONSON,WARREN
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1UF1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-MAY-03.
REMARK 100 THE DEPOSITION ID IS D_1000005752.
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 PDZ DOMAIN U-15N,13C, 20MM D
REMARK 210 -TRIS HCL, 100MM NACL, 1MM D-DTT,
REMARK 210 0.02% NAN3, 90% H2O, 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 : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, NMRPIPE 20020425,
REMARK 210 NMRVIEW 5, CNS 1.1
REMARK 210 METHOD USED : NULL
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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: 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 -59.22 -141.18
REMARK 500 1 SER A 6 -47.16 -140.90
REMARK 500 1 ARG A 10 -40.53 -174.18
REMARK 500 1 SER A 11 -45.91 -163.24
REMARK 500 1 THR A 12 114.80 61.68
REMARK 500 1 LEU A 13 158.72 60.29
REMARK 500 1 THR A 51 35.42 -140.56
REMARK 500 1 PHE A 78 30.49 -98.72
REMARK 500 1 LYS A 91 36.94 -98.31
REMARK 500 1 SER A 92 -47.06 -133.28
REMARK 500 1 ILE A 97 74.54 -103.17
REMARK 500 1 ARG A 105 -58.00 -129.57
REMARK 500 1 HIS A 108 111.42 177.80
REMARK 500 1 ARG A 110 -46.36 -155.11
REMARK 500 1 VAL A 113 110.02 -160.72
REMARK 500 1 ASP A 114 98.14 -176.56
REMARK 500 1 LYS A 117 71.27 63.43
REMARK 500 1 TRP A 118 107.07 59.21
REMARK 500 1 SER A 122 90.88 60.34
REMARK 500 1 SER A 126 31.60 -154.49
REMARK 500 2 SER A 11 -66.22 -124.74
REMARK 500 2 THR A 12 87.67 -154.34
REMARK 500 2 GLN A 17 101.09 62.33
REMARK 500 2 LEU A 28 -178.02 -67.44
REMARK 500 2 SER A 33 155.90 61.09
REMARK 500 2 THR A 37 78.61 -105.28
REMARK 500 2 THR A 51 40.43 -153.70
REMARK 500 2 ASN A 80 35.76 -98.24
REMARK 500 2 LYS A 91 75.33 -107.08
REMARK 500 2 SER A 92 -43.94 -176.91
REMARK 500 2 PRO A 107 -179.76 -68.03
REMARK 500 2 ALA A 109 166.31 61.03
REMARK 500 2 ARG A 110 84.93 -151.25
REMARK 500 2 VAL A 113 148.31 63.05
REMARK 500 2 ASP A 114 99.79 59.90
REMARK 500 2 LYS A 117 83.66 60.10
REMARK 500 2 SER A 121 112.51 60.94
REMARK 500 3 SER A 3 128.84 -174.23
REMARK 500 3 SER A 11 95.40 61.51
REMARK 500 3 LEU A 13 -53.95 -137.19
REMARK 500 3 LEU A 16 84.12 -172.94
REMARK 500 3 ASP A 30 -49.14 -130.47
REMARK 500 3 LYS A 91 42.83 -103.22
REMARK 500 3 SER A 92 -50.63 -141.63
REMARK 500 3 ARG A 105 96.06 59.47
REMARK 500 3 THR A 116 -47.08 -152.49
REMARK 500 3 TRP A 118 173.97 61.93
REMARK 500 3 SER A 126 -51.87 -149.24
REMARK 500 4 SER A 2 92.73 -173.94
REMARK 500 4 SER A 11 -55.90 -133.18
REMARK 500
REMARK 500 THIS ENTRY HAS 328 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002001498.2 RELATED DB: TARGETDB
DBREF 1UF1 A 7 122 UNP Q9P202 WHRN_HUMAN 319 434
SEQADV 1UF1 GLY A 1 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 SER A 2 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 SER A 3 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 GLY A 4 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 SER A 5 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 SER A 6 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 SER A 123 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 GLY A 124 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 PRO A 125 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 SER A 126 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 SER A 127 UNP Q9P202 CLONING ARTIFACT
SEQADV 1UF1 GLY A 128 UNP Q9P202 CLONING ARTIFACT
SEQRES 1 A 128 GLY SER SER GLY SER SER GLY ASP ARG ARG SER THR LEU
SEQRES 2 A 128 HIS LEU LEU GLN GLY GLY ASP GLU LYS LYS VAL ASN LEU
SEQRES 3 A 128 VAL LEU GLY ASP GLY ARG SER LEU GLY LEU THR ILE ARG
SEQRES 4 A 128 GLY GLY ALA GLU TYR GLY LEU GLY ILE TYR ILE THR GLY
SEQRES 5 A 128 VAL ASP PRO GLY SER GLU ALA GLU GLY SER GLY LEU LYS
SEQRES 6 A 128 VAL GLY ASP GLN ILE LEU GLU VAL ASN GLY ARG SER PHE
SEQRES 7 A 128 LEU ASN ILE LEU HIS ASP GLU ALA VAL ARG LEU LEU LYS
SEQRES 8 A 128 SER SER ARG HIS LEU ILE LEU THR VAL LYS ASP VAL GLY
SEQRES 9 A 128 ARG LEU PRO HIS ALA ARG THR THR VAL ASP GLU THR LYS
SEQRES 10 A 128 TRP ILE ALA SER SER SER GLY PRO SER SER GLY
HELIX 1 1 GLU A 58 SER A 62 1 5
HELIX 2 2 HIS A 83 LEU A 90 1 8
SHEET 1 A 4 GLU A 21 VAL A 27 0
SHEET 2 A 4 HIS A 95 LYS A 101 -1 O LEU A 98 N VAL A 24
SHEET 3 A 4 GLN A 69 VAL A 73 -1 N GLU A 72 O THR A 99
SHEET 4 A 4 ARG A 76 SER A 77 -1 O ARG A 76 N VAL A 73
SHEET 1 B 2 LEU A 36 ARG A 39 0
SHEET 2 B 2 TYR A 49 VAL A 53 -1 O TYR A 49 N ARG A 39
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