HEADER CONTRACTILE PROTEIN 14-APR-06 2DKU
TITLE SOLUTION STRUCTURE OF THE THIRD IG-LIKE DOMAIN OF HUMAN KIAA1556
TITLE 2 PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: KIAA1556 PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: IG-LIKE 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: KIAA1556;
SOURCE 6 EXPRESSION_SYSTEM: CELL FREE SYNTHESIS;
SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: P051017-17;
SOURCE 9 OTHER_DETAILS: CELL FREE PROTEIN SYNTHESIS
KEYWDS BETA-SANDWICH, IG-FOLD, OBSCURIN, STRUCTURAL GENOMICS, NPPSFA,
KEYWDS 2 NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES,
KEYWDS 3 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, CONTRACTILE
KEYWDS 4 PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.NAGASHIMA,C.KUROSAKI,M.YOSHIDA,F.HAYASHI,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2DKU 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2DKU 1 VERSN
REVDAT 1 14-OCT-06 2DKU 0
JRNL AUTH K.NAGASHIMA,C.KUROSAKI,M.YOSHIDA,F.HAYASHI,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE THIRD IG-LIKE DOMAIN OF HUMAN
JRNL TITL 2 KIAA1556 PROTEIN
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 2DKU COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-APR-06.
REMARK 100 THE DEPOSITION ID IS D_1000025534.
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 : 1.07MM 13C, 15N-LABELED PROTEIN;
REMARK 210 20MM D-TRIS-HCL (PH7.0 ); 100MM
REMARK 210 NACL; 1MM D-DTT; 0.02% NAN3, 10%
REMARK 210 D2O; 90% H2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 900 MHZ; 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 0.932, CYANA 2.0.17
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 : TARGET FUNCTION, STRUCTURES WITH
REMARK 210 THE LEAST RESTRAINT VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: SPECTROMETER_ID 1 FOR 3D_13C-SEPARATED_NOESY;
REMARK 210 SPECTROMETER_ID 2 FOR 3D_15N-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 LEU A 15 -175.02 -58.25
REMARK 500 1 ASN A 17 130.26 -36.57
REMARK 500 1 THR A 25 105.82 -165.50
REMARK 500 1 PRO A 35 89.96 -69.71
REMARK 500 1 ALA A 50 104.56 -46.77
REMARK 500 1 LYS A 53 -62.37 -90.02
REMARK 500 1 LEU A 70 164.60 -42.35
REMARK 500 1 ASP A 74 -30.94 -38.81
REMARK 500 1 SER A 75 103.67 -52.47
REMARK 500 1 GLN A 94 -178.72 -64.47
REMARK 500 2 GLU A 22 153.74 -36.07
REMARK 500 2 PRO A 35 88.34 -69.76
REMARK 500 2 ALA A 50 102.73 -45.68
REMARK 500 2 LEU A 70 175.66 -49.52
REMARK 500 2 SER A 75 98.00 -46.38
REMARK 500 3 ASN A 17 135.52 -39.07
REMARK 500 3 GLU A 22 154.98 -46.57
REMARK 500 3 PRO A 35 82.68 -69.81
REMARK 500 3 ALA A 50 102.53 -42.08
REMARK 500 3 SER A 75 94.09 -45.36
REMARK 500 3 SER A 101 159.60 -47.17
REMARK 500 4 SER A 2 108.18 -163.73
REMARK 500 4 LEU A 15 179.61 -56.85
REMARK 500 4 GLU A 22 154.13 -48.14
REMARK 500 4 PRO A 35 80.43 -69.79
REMARK 500 4 ALA A 50 105.70 -44.94
REMARK 500 4 LEU A 61 29.43 48.08
REMARK 500 4 LYS A 72 -31.14 -37.68
REMARK 500 4 SER A 75 99.31 -47.87
REMARK 500 4 GLN A 94 -179.33 -57.97
REMARK 500 5 ALA A 8 178.09 -51.60
REMARK 500 5 GLU A 22 155.57 -40.53
REMARK 500 5 THR A 25 115.30 -163.89
REMARK 500 5 PRO A 35 86.87 -69.83
REMARK 500 5 ALA A 50 104.04 -56.29
REMARK 500 5 LEU A 61 25.81 44.89
REMARK 500 5 LEU A 70 174.71 -52.52
REMARK 500 5 GLU A 71 147.95 -174.38
REMARK 500 5 SER A 75 98.49 -39.96
REMARK 500 5 ARG A 96 -72.81 -61.04
REMARK 500 6 LEU A 15 178.30 -54.95
REMARK 500 6 ASN A 17 124.90 -38.74
REMARK 500 6 GLU A 22 159.91 -41.99
REMARK 500 6 PRO A 35 96.09 -69.69
REMARK 500 6 LYS A 53 -70.70 -81.33
REMARK 500 6 LEU A 61 29.60 43.56
REMARK 500 6 SER A 75 100.93 -45.65
REMARK 500 6 PRO A 100 91.18 -69.76
REMARK 500 7 GLU A 22 154.54 -43.99
REMARK 500 7 PRO A 35 83.18 -69.74
REMARK 500
REMARK 500 THIS ENTRY HAS 157 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSK002001528.4 RELATED DB: TARGETDB
DBREF 2DKU A 8 97 UNP Q5VST9 OBSCN_HUMAN 2915 3004
SEQADV 2DKU GLY A 1 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU SER A 2 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU SER A 3 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU GLY A 4 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU SER A 5 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU SER A 6 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU GLY A 7 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU SER A 98 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU GLY A 99 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU PRO A 100 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU SER A 101 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU SER A 102 UNP Q5VST9 CLONING ARTIFACT
SEQADV 2DKU GLY A 103 UNP Q5VST9 CLONING ARTIFACT
SEQRES 1 A 103 GLY SER SER GLY SER SER GLY ALA ASN CYS PHE THR GLU
SEQRES 2 A 103 GLU LEU THR ASN LEU GLN VAL GLU GLU LYS GLY THR ALA
SEQRES 3 A 103 VAL PHE THR CYS LYS THR GLU HIS PRO ALA ALA THR VAL
SEQRES 4 A 103 THR TRP ARG LYS GLY LEU LEU GLU LEU ARG ALA SER GLY
SEQRES 5 A 103 LYS HIS GLN PRO SER GLN GLU GLY LEU THR LEU ARG LEU
SEQRES 6 A 103 THR ILE SER ALA LEU GLU LYS ALA ASP SER ASP THR TYR
SEQRES 7 A 103 THR CYS ASP ILE GLY GLN ALA GLN SER ARG ALA GLN LEU
SEQRES 8 A 103 LEU VAL GLN GLY ARG ARG SER GLY PRO SER SER GLY
SHEET 1 A 4 LEU A 18 GLU A 21 0
SHEET 2 A 4 ALA A 89 GLN A 94 1 O GLN A 94 N VAL A 20
SHEET 3 A 4 THR A 77 ASP A 81 -1 N TYR A 78 O ALA A 89
SHEET 4 A 4 THR A 40 LYS A 43 -1 N ARG A 42 O THR A 79
SHEET 1 B 3 THR A 25 LYS A 31 0
SHEET 2 B 3 THR A 62 SER A 68 -1 O LEU A 63 N CYS A 30
SHEET 3 B 3 HIS A 54 GLU A 59 -1 N GLU A 59 O THR A 62
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
(ATOM LINES ARE NOT SHOWN.)
END