HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-MAY-04 1WI9
TITLE SOLUTION STRUCTURE OF THE PCI DOMAIN FROM MOUSE HYPOTHETICAL PROTEIN
TITLE 2 AAH51541
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PROTEIN C20ORF116 HOMOLOG;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PCI DOMAIN;
COMPND 5 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: RIKEN CDNA 1110001I20;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P031015-09;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS HELIX-TURN-HELIX MOTIF, STRUCTURAL GENOMICS, RIKEN STRUCTURAL
KEYWDS 2 GENOMICS/PROTEOMICS INITIATIVE, RSGI, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR S.SUZUKI,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WI9 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WI9 1 VERSN
REVDAT 1 28-NOV-04 1WI9 0
JRNL AUTH S.SUZUKI,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,
JRNL AUTH 2 S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE PCI DOMAIN FROM MOUSE HYPOTHETICAL
JRNL TITL 2 PROTEIN AAH51541
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.5, CYANA 2.0.17
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUENTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WI9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 04-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023608.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 288
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 100MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.0MM 13C/15N-PCI DOMAIN, 20MM
REMARK 210 PHOSPHATE BUFFER NA, 200MM NACL,
REMARK 210 1MM D-DTT, 0.02% NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
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 : NMRPIPE 2.3, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.901, OLIVIA 1.9.12,
REMARK 210 CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : TARGET FUNCTION
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
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: 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 130 171.39 -46.30
REMARK 500 1 SER A 167 44.03 -92.94
REMARK 500 2 SER A 99 42.86 38.89
REMARK 500 2 SER A 102 42.81 -102.94
REMARK 500 2 LEU A 130 156.33 -41.69
REMARK 500 2 THR A 147 -34.03 -36.22
REMARK 500 2 ILE A 161 79.89 -117.21
REMARK 500 2 PRO A 166 93.85 -69.75
REMARK 500 3 SER A 100 128.44 -174.18
REMARK 500 3 LEU A 130 143.78 -37.94
REMARK 500 3 PRO A 166 87.18 -69.75
REMARK 500 4 LYS A 117 -32.45 -34.88
REMARK 500 4 LEU A 130 155.62 -37.44
REMARK 500 4 THR A 162 141.20 -175.01
REMARK 500 4 SER A 164 -41.37 -132.44
REMARK 500 4 PRO A 166 84.60 -69.74
REMARK 500 5 LEU A 130 162.58 -44.54
REMARK 500 5 PRO A 166 92.86 -69.72
REMARK 500 6 SER A 99 107.13 -50.57
REMARK 500 6 SER A 116 94.05 -69.93
REMARK 500 6 LEU A 130 151.72 -40.94
REMARK 500 7 SER A 103 170.42 -59.99
REMARK 500 7 LEU A 130 160.21 -42.80
REMARK 500 7 SER A 167 158.99 -45.54
REMARK 500 8 SER A 99 94.86 -64.30
REMARK 500 8 SER A 100 42.01 70.64
REMARK 500 8 LEU A 130 161.76 -44.01
REMARK 500 8 THR A 147 -34.41 -39.62
REMARK 500 8 SER A 164 -52.61 -134.51
REMARK 500 8 SER A 167 152.18 -37.88
REMARK 500 10 SER A 102 57.69 -92.00
REMARK 500 10 LEU A 130 153.51 -48.75
REMARK 500 10 SER A 168 41.01 37.12
REMARK 500 11 LEU A 130 154.57 -41.83
REMARK 500 12 LEU A 130 162.94 -42.32
REMARK 500 12 PRO A 163 -171.59 -69.76
REMARK 500 13 LEU A 130 153.80 -38.51
REMARK 500 13 THR A 147 -33.30 -36.00
REMARK 500 13 SER A 164 170.91 -55.27
REMARK 500 14 LEU A 130 153.64 -36.83
REMARK 500 14 THR A 147 -34.01 -38.44
REMARK 500 14 ILE A 161 79.21 -114.72
REMARK 500 15 SER A 99 41.97 38.61
REMARK 500 15 LEU A 130 161.02 -45.03
REMARK 500 15 SER A 167 -70.57 -47.08
REMARK 500 16 SER A 116 97.77 -69.89
REMARK 500 16 LEU A 130 153.64 -40.59
REMARK 500 16 SER A 167 160.88 -49.59
REMARK 500 17 SER A 102 37.37 38.67
REMARK 500 17 LEU A 130 152.88 -38.32
REMARK 500
REMARK 500 THIS ENTRY HAS 66 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 AUTHOR DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 700
REMARK 700 SHEET
REMARK 700 AUTHOR DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007119227.1 RELATED DB: TARGETDB
DBREF 1WI9 A 105 163 UNP Q80WW9 CT116_MOUSE 216 274
SEQADV 1WI9 GLY A 98 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 SER A 99 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 SER A 100 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 GLY A 101 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 SER A 102 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 SER A 103 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 GLY A 104 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 SER A 164 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 GLY A 165 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 PRO A 166 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 SER A 167 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 SER A 168 UNP Q80WW9 CLONING ARTIFACT
SEQADV 1WI9 GLY A 169 UNP Q80WW9 CLONING ARTIFACT
SEQRES 1 A 72 GLY SER SER GLY SER SER GLY PHE LEU THR GLU PHE ILE
SEQRES 2 A 72 ASN TYR ILE LYS LYS SER LYS VAL VAL LEU LEU GLU ASP
SEQRES 3 A 72 LEU ALA PHE GLN MET GLY LEU ARG THR GLN ASP ALA ILE
SEQRES 4 A 72 ASN ARG ILE GLN ASP LEU LEU THR GLU GLY THR LEU THR
SEQRES 5 A 72 GLY VAL ILE ASP ASP ARG GLY LYS PHE ILE TYR ILE THR
SEQRES 6 A 72 PRO SER GLY PRO SER SER GLY
HELIX 1 1 PHE A 105 SER A 116 1 12
HELIX 2 2 LEU A 121 MET A 128 1 8
HELIX 3 3 THR A 132 GLU A 145 1 14
SHEET 1 A 3 VAL A 118 VAL A 119 0
SHEET 2 A 3 GLY A 150 ILE A 152 -1 N VAL A 151 O ILE A 159
SHEET 3 A 3 PHE A 158 TYR A 160 -1 O PHE A 158 N VAL A 119
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
