HEADER ONCOPROTEIN 19-MAY-05 2CPE
TITLE SOLUTION STRUCTURE OF THE RNA RECOGNITION MOTIF OF EWING SARCOMA(EWS)
TITLE 2 PROTEIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RNA-BINDING PROTEIN EWS;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: RNA RECOGNITION MOTIF;
COMPND 5 SYNONYM: EWS ONCOGENE, EWING SARCOMA BREAKPOINT REGION 1 PROTEIN;
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: EWSR1;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040329-86;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS RNA RECOGNITION MOTIF, RRM, RNP, STRUCTURAL GENOMICS, NPPSFA,
KEYWDS 2 NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES,
KEYWDS 3 RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, ONCOPROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.NAGATA,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CPE 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CPE 1 VERSN
REVDAT 1 19-NOV-05 2CPE 0
JRNL AUTH T.NAGATA,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU,
JRNL AUTH 2 S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE RNA RECOGNITION MOTIF OF EWING
JRNL TITL 2 SARCOMA(EWS) PROTEIN
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), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 2CPE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 24-MAY-05.
REMARK 100 THE DEPOSITION ID IS D_1000024477.
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 : 1.07MM 13C/15N-PROTEIN; 20MM D
REMARK 210 -TRIS-HCL(PH7.0); 100MM 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 : 700 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20030801/20031121,
REMARK 210 NMRVIEW 5.0.4, KUJIRA 0.925,
REMARK 210 CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYANAMICS,
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,STRUCTURES WITH
REMARK 210 THE LOWEST ENERGY,STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS
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 ASP A 357 44.70 -99.82
REMARK 500 1 ASP A 359 -37.75 -37.30
REMARK 500 1 LYS A 388 107.23 -45.85
REMARK 500 1 MET A 397 40.76 -81.61
REMARK 500 1 PRO A 409 94.69 -69.75
REMARK 500 1 ASP A 431 100.28 -57.12
REMARK 500 1 LEU A 444 109.80 -43.76
REMARK 500 1 PRO A 450 -173.93 -69.75
REMARK 500 2 SER A 350 -61.19 -101.24
REMARK 500 2 SER A 361 40.03 -106.28
REMARK 500 2 LYS A 388 108.74 -47.55
REMARK 500 2 MET A 397 40.11 -82.19
REMARK 500 2 PRO A 409 95.17 -69.74
REMARK 500 2 ASP A 431 96.43 -54.66
REMARK 500 2 LEU A 444 102.15 -38.58
REMARK 500 2 SER A 456 133.89 -37.38
REMARK 500 3 PRO A 354 79.68 -69.76
REMARK 500 3 GLU A 356 172.40 -56.19
REMARK 500 3 LYS A 388 108.32 -50.31
REMARK 500 3 MET A 397 40.32 -82.12
REMARK 500 3 PRO A 409 94.99 -69.74
REMARK 500 3 ASP A 431 93.47 -60.40
REMARK 500 3 LYS A 448 152.63 -48.09
REMARK 500 3 PRO A 455 2.80 -69.78
REMARK 500 4 LYS A 388 105.05 -46.72
REMARK 500 4 MET A 397 40.68 -81.74
REMARK 500 4 PRO A 409 95.29 -69.73
REMARK 500 4 ASP A 431 99.93 -54.74
REMARK 500 4 LEU A 444 118.72 -36.99
REMARK 500 4 ALA A 445 96.40 -57.29
REMARK 500 4 PRO A 455 2.78 -69.87
REMARK 500 5 PRO A 354 0.22 -69.80
REMARK 500 5 SER A 358 42.82 -100.75
REMARK 500 5 ASP A 359 97.58 -45.28
REMARK 500 5 SER A 361 30.45 -89.56
REMARK 500 5 LYS A 388 108.14 -54.41
REMARK 500 5 MET A 397 41.80 -81.17
REMARK 500 5 PRO A 409 91.36 -69.82
REMARK 500 5 ASP A 431 96.12 -58.64
REMARK 500 5 LYS A 433 165.94 -49.70
REMARK 500 5 LEU A 444 136.18 -37.96
REMARK 500 5 ASN A 452 137.04 -174.46
REMARK 500 6 PRO A 354 -175.02 -69.76
REMARK 500 6 LYS A 388 106.87 -57.18
REMARK 500 6 ASN A 390 150.21 -46.79
REMARK 500 6 MET A 397 40.83 -81.79
REMARK 500 6 PRO A 409 94.00 -69.80
REMARK 500 6 ASP A 431 94.68 -54.16
REMARK 500 6 ALA A 445 98.50 -59.57
REMARK 500 6 SER A 453 35.15 38.39
REMARK 500
REMARK 500 THIS ENTRY HAS 180 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 700
REMARK 700 SHEET
REMARK 700 DETERMINATION METHOD: AUTHOR DETERMINED
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSS001000442 RELATED DB: TARGETDB
DBREF 2CPE A 353 453 UNP Q01844 EWS_HUMAN 353 453
SEQADV 2CPE GLY A 346 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE SER A 347 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE SER A 348 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE GLY A 349 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE SER A 350 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE SER A 351 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE GLY A 352 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE GLY A 454 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE PRO A 455 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE SER A 456 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE SER A 457 UNP Q01844 CLONING ARTIFACT
SEQADV 2CPE GLY A 458 UNP Q01844 CLONING ARTIFACT
SEQRES 1 A 113 GLY SER SER GLY SER SER GLY ASP PRO ASP GLU ASP SER
SEQRES 2 A 113 ASP ASN SER ALA ILE TYR VAL GLN GLY LEU ASN ASP SER
SEQRES 3 A 113 VAL THR LEU ASP ASP LEU ALA ASP PHE PHE LYS GLN CYS
SEQRES 4 A 113 GLY VAL VAL LYS MET ASN LYS ARG THR GLY GLN PRO MET
SEQRES 5 A 113 ILE HIS ILE TYR LEU ASP LYS GLU THR GLY LYS PRO LYS
SEQRES 6 A 113 GLY ASP ALA THR VAL SER TYR GLU ASP PRO PRO THR ALA
SEQRES 7 A 113 LYS ALA ALA VAL GLU TRP PHE ASP GLY LYS ASP PHE GLN
SEQRES 8 A 113 GLY SER LYS LEU LYS VAL SER LEU ALA ARG LYS LYS PRO
SEQRES 9 A 113 PRO MET ASN SER GLY PRO SER SER GLY
HELIX 1 1 LEU A 374 ALA A 378 1 5
HELIX 2 2 PRO A 420 PHE A 430 1 11
SHEET 1 A 4 ILE A 398 ILE A 400 0
SHEET 2 A 4 ASP A 412 SER A 416 -1
SHEET 3 A 4 ALA A 362 GLN A 366 -1
SHEET 4 A 4 LYS A 441 SER A 443 -1
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
