Header list of 1o6w.pdb file
Complete list - 15 20 Bytes
HEADER NUCLEAR PROTEIN 16-OCT-02 1O6W
TITLE SOLUTION STRUCTURE OF THE PRP40 WW DOMAIN PAIR OF THE YEAST SPLICING
TITLE 2 FACTOR PRP40
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PRE-MRNA PROCESSING PROTEIN PRP40;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: WW DOMAIN PAIR, RESIDUES 1-75;
COMPND 5 SYNONYM: PRP40;
COMPND 6 ENGINEERED: YES;
COMPND 7 OTHER_DETAILS: WW DOMAIN PAIR OF SC. PRE-MRNA PROCESSING PROTEIN
COMPND 8 (PRP) 40
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932;
SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET24D;
SOURCE 9 OTHER_DETAILS: N-TERMINAL HIS6-TAG AND TEV CLEAVAGE SITE
KEYWDS WW DOMAIN PAIR, NUCLEAR PROTEIN, MRNA PROCESSING, PRP40, MRNA
KEYWDS 2 SPLICING, RIBONUCLEOPROTEIN
EXPDTA SOLUTION NMR
NUMMDL 7
AUTHOR S.WIESNER,G.STIER,M.SATTLER,M.J.MACIAS
REVDAT 3 15-JAN-20 1O6W 1 REMARK
REVDAT 2 24-FEB-09 1O6W 1 VERSN
REVDAT 1 04-DEC-02 1O6W 0
JRNL AUTH S.WIESNER,G.STIER,M.SATTLER,M.J.MACIAS
JRNL TITL SOLUTION STRUCTURE AND LIGAND RECOGNITION OF THE WW DOMAIN
JRNL TITL 2 PAIR OF THE YEAST SPLICING FACTOR PRP40
JRNL REF J.MOL.BIOL. V. 324 807 2002
JRNL REFN ISSN 0022-2836
JRNL PMID 12460579
JRNL DOI 10.1016/S0022-2836(02)01145-2
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : ARIA
REMARK 3 AUTHORS : NILGES, M.
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN THE
REMARK 3 JRNL CITATION ABOVE.
REMARK 4
REMARK 4 1O6W COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 16-OCT-02.
REMARK 100 THE DEPOSITION ID IS D_1290011530.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 295
REMARK 210 PH : 6.3
REMARK 210 IONIC STRENGTH : 20MM NA PHOSPHATE, 30MM NACL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : 1.5 MM 15N- OR 13C,15N; 20MM
REMARK 210 PHOSPHATE BUFFER PH 6.3; 30MM
REMARK 210 NACL; 0.03% (W/V) NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 13C-NOESY; 15N-NOESY; S3CT;
REMARK 210 HNCG; HNHA-J
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XEASY, NMRVIEW, PIPP/ CAPP CAPP,
REMARK 210 ARIA, CNS
REMARK 210 METHOD USED : AMBIGUOUS DISTANCE RESTRAINTS
REMARK 210 SIMULATED ANNEALING WIT TORSION
REMARK 210 ANGLE DYNAMICS AS IMPLEMENTED IN
REMARK 210 ARIA1.0
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 7
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALEN GEOMETRY, STRUCTURES
REMARK 210 WITH FAVORABL NON-BOND ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING STANDARD TRIPLE
REMARK 210 -RESONANCE NMR SPECTROSCOPY ON 13C,15N-LABELED PRP40 1-75.
REMARK 210 RESIDUAL DIPOLAR COUPLINGS WERE MEASURED TO INCREASE THE
REMARK 210 CONVERGENCE OF THE SET OF STUCTURES CALCULATED.
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 400
REMARK 400 COMPOUND
REMARK 400 REQUIRED FOR THE FIRST STEP OF PRE-MRNA SPLICING. THIS
REMARK 400 PROTEIN IS ASSOCIATED WITH SNRNP U1.
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 65.88 -158.61
REMARK 500 1 LYS A 74 105.12 -56.91
REMARK 500 2 SER A 2 -103.45 -124.61
REMARK 500 2 GLU A 42 -19.23 -46.22
REMARK 500 3 THR A 65 116.33 -163.33
REMARK 500 3 PRO A 70 172.05 -55.49
REMARK 500 4 ASP A 9 -179.29 -65.86
REMARK 500 4 THR A 65 115.93 -163.80
REMARK 500 4 PRO A 70 171.95 -54.94
REMARK 500 5 SER A 2 -127.94 -151.51
REMARK 500 5 ILE A 69 105.67 -55.86
REMARK 500 6 GLU A 42 -19.72 -45.95
REMARK 500 7 SER A 2 55.01 -97.32
REMARK 500 7 LYS A 28 106.56 -55.85
REMARK 500 7 LYS A 74 45.11 -158.06
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: AUTHOR PROVIDED.
REMARK 700
REMARK 700 SHEET
REMARK 700 DETERMINATION METHOD: AUTHOR PROVIDED.
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 5616 RELATED DB: BMRB
DBREF 1O6W A 1 75 UNP P33203 PR40_YEAST 1 75
SEQRES 1 A 75 MET SER ILE TRP LYS GLU ALA LYS ASP ALA SER GLY ARG
SEQRES 2 A 75 ILE TYR TYR TYR ASN THR LEU THR LYS LYS SER THR TRP
SEQRES 3 A 75 GLU LYS PRO LYS GLU LEU ILE SER GLN GLU GLU LEU LEU
SEQRES 4 A 75 LEU ARG GLU ASN GLY TRP LYS ALA ALA LYS THR ALA ASP
SEQRES 5 A 75 GLY LYS VAL TYR TYR TYR ASN PRO THR THR ARG GLU THR
SEQRES 6 A 75 SER TRP THR ILE PRO ALA PHE GLU LYS LYS
HELIX 1 1 LYS A 30 GLU A 42 1 13
SHEET 1 AA 3 TRP A 4 ASP A 9 0
SHEET 2 AA 3 ARG A 13 THR A 19 -1 O TYR A 15 N ALA A 7
SHEET 3 AA 3 LYS A 22 TRP A 26 -1 O LYS A 23 N ASN A 18
SHEET 1 AB 3 TRP A 45 THR A 50 0
SHEET 2 AB 3 LYS A 54 PRO A 60 -1 O TYR A 56 N ALA A 48
SHEET 3 AB 3 ARG A 63 TRP A 67 -1 O GLU A 64 N ASN A 59
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 - 15 20 Bytes