Header list of 1v61.pdb file
Complete list - r 2 2 Bytes
HEADER SIGNALING PROTEIN 26-NOV-03 1V61
TITLE SOLUTION STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN OF ALPHA-PIX
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: RAC/CDC42 GUANINE NUCLEOTIDE EXCHANGE FACTOR (GEF) 6;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: PLECKSTRIN HOMOLOGY DOMAIN;
COMPND 5 SYNONYM: PAK-INTERACTING EXCHANGE FACTOR ALPHA;
COMPND 6 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 1700038J06;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P030212-43;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS PLECKSTRIN HOMOLOGY DOMAIN, GUANINE NUCLEOTIDE EXCHANGE FACTOR,
KEYWDS 2 STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 3 INITIATIVE, RSGI, SIGNALING PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR T.NAKANISHI,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1V61 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1V61 1 VERSN
REVDAT 1 26-MAY-04 1V61 0
JRNL AUTH T.NAKANISHI,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE PLECKSTRIN HOMOLOGY DOMAIN OF
JRNL TITL 2 ALPHA-PIX
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.1, CYANA 1.0.7
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT, P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1V61 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 28-NOV-03.
REMARK 100 THE DEPOSITION ID IS D_1000006250.
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 : 0.15MM PH DOMAIN U-15N, 13C;
REMARK 210 20MM D-TRIS-HCL; 100MM NACL; 1MM
REMARK 210 D-DTT; 0.02% NAN3; 90% H2O, 10%
REMARK 210 D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20030801, NMRVIEW 5.0.4,
REMARK 210 KUJIRA 0.870, CYANA 1.0.7
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 : STRUCTURES WITH THE LEAST
REMARK 210 RESTRAINT VIOLATIONS, TARGET
REMARK 210 FUNCTION
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: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 O GLN A 120 H LEU A 124 1.45
REMARK 500 H LEU A 50 O ILE A 57 1.55
REMARK 500 O GLN A 15 H TYR A 70 1.56
REMARK 500 H LEU A 56 O ILE A 74 1.59
REMARK 500
REMARK 500 REMARK: NULL
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 -58.50 -166.37
REMARK 500 1 SER A 6 153.58 -46.36
REMARK 500 1 GLN A 8 -61.77 69.88
REMARK 500 1 SER A 11 -48.38 -162.75
REMARK 500 1 ALA A 16 -37.70 86.73
REMARK 500 1 GLU A 18 112.98 -168.54
REMARK 500 1 ASP A 20 -72.50 -142.41
REMARK 500 1 ILE A 29 -78.38 -48.46
REMARK 500 1 GLN A 37 -72.74 -129.11
REMARK 500 1 HIS A 38 -170.94 -177.25
REMARK 500 1 ALA A 40 111.47 60.20
REMARK 500 1 CYS A 41 -74.13 -147.10
REMARK 500 1 GLU A 42 -71.44 -123.85
REMARK 500 1 SER A 53 -13.66 84.23
REMARK 500 1 PRO A 63 -162.64 -75.02
REMARK 500 1 ARG A 64 -85.53 -78.52
REMARK 500 1 SER A 66 90.61 179.71
REMARK 500 1 GLN A 71 -70.59 -94.68
REMARK 500 1 ASN A 82 41.81 -149.40
REMARK 500 1 ARG A 83 37.62 38.11
REMARK 500 1 ILE A 87 -148.18 -108.49
REMARK 500 1 SER A 90 81.37 -166.38
REMARK 500 1 ASP A 91 142.82 65.56
REMARK 500 1 CYS A 92 -85.12 -82.58
REMARK 500 1 MET A 93 -167.05 42.57
REMARK 500 1 VAL A 101 63.07 -163.79
REMARK 500 1 CYS A 108 -168.94 -67.16
REMARK 500 1 ASN A 109 -44.86 -160.06
REMARK 500 1 ASN A 110 79.48 72.14
REMARK 500 1 ASN A 111 166.83 179.68
REMARK 500 1 LEU A 124 -76.57 -55.93
REMARK 500 1 SER A 131 82.08 51.62
REMARK 500 2 LEU A 10 159.77 -42.49
REMARK 500 2 SER A 11 -75.04 -43.25
REMARK 500 2 GLU A 12 152.76 -38.98
REMARK 500 2 PRO A 13 -164.38 -74.93
REMARK 500 2 ALA A 16 22.91 81.50
REMARK 500 2 ASP A 20 -53.40 -164.44
REMARK 500 2 ILE A 29 -78.79 -44.77
REMARK 500 2 GLN A 37 -97.69 -121.65
REMARK 500 2 HIS A 38 -51.35 -158.55
REMARK 500 2 ALA A 40 101.32 -164.83
REMARK 500 2 CYS A 41 -71.36 -119.51
REMARK 500 2 GLU A 42 -53.44 -128.40
REMARK 500 2 SER A 53 35.12 79.36
REMARK 500 2 SER A 54 -32.58 -179.39
REMARK 500 2 MET A 65 -29.22 165.32
REMARK 500 2 GLN A 71 -64.31 -101.01
REMARK 500 2 ALA A 77 -72.65 -57.09
REMARK 500 2 ILE A 87 -145.97 -103.24
REMARK 500
REMARK 500 THIS ENTRY HAS 586 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007009978.1 RELATED DB: TARGETDB
DBREF 1V61 A 8 126 GB 22266730 AAM94903 429 547
SEQADV 1V61 GLY A 1 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 SER A 2 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 SER A 3 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 GLY A 4 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 SER A 5 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 SER A 6 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 GLY A 7 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 SER A 127 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 GLY A 128 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 PRO A 129 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 SER A 130 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 SER A 131 GB 22266730 CLONING ARTIFACT
SEQADV 1V61 GLY A 132 GB 22266730 CLONING ARTIFACT
SEQRES 1 A 132 GLY SER SER GLY SER SER GLY GLN ILE LEU SER GLU PRO
SEQRES 2 A 132 ILE GLN ALA TRP GLU GLY ASP ASP ILE LYS THR LEU GLY
SEQRES 3 A 132 ASN VAL ILE PHE MET SER GLN VAL VAL MET GLN HIS GLY
SEQRES 4 A 132 ALA CYS GLU GLU LYS GLU GLU ARG TYR PHE LEU LEU PHE
SEQRES 5 A 132 SER SER VAL LEU ILE MET LEU SER ALA SER PRO ARG MET
SEQRES 6 A 132 SER GLY PHE MET TYR GLN GLY LYS ILE PRO ILE ALA GLY
SEQRES 7 A 132 MET VAL VAL ASN ARG LEU ASP GLU ILE GLU GLY SER ASP
SEQRES 8 A 132 CYS MET PHE GLU ILE THR GLY SER THR VAL GLU ARG ILE
SEQRES 9 A 132 VAL VAL HIS CYS ASN ASN ASN GLN ASP PHE GLN GLU TRP
SEQRES 10 A 132 MET GLU GLN LEU ASN ARG LEU THR LYS SER GLY PRO SER
SEQRES 11 A 132 SER GLY
HELIX 1 1 ILE A 22 THR A 24 5 3
HELIX 2 2 GLN A 112 LEU A 124 1 13
SHEET 1 A 5 MET A 31 VAL A 35 0
SHEET 2 A 5 GLU A 46 LEU A 51 -1 O PHE A 49 N SER A 32
SHEET 3 A 5 VAL A 55 SER A 60 -1 O LEU A 59 N TYR A 48
SHEET 4 A 5 PHE A 68 PRO A 75 -1 O ILE A 74 N LEU A 56
SHEET 5 A 5 ILE A 14 GLN A 15 1 N GLN A 15 O PHE A 68
SHEET 1 B 3 VAL A 80 ASN A 82 0
SHEET 2 B 3 PHE A 94 THR A 97 -1 O THR A 97 N VAL A 80
SHEET 3 B 3 ILE A 104 HIS A 107 -1 O VAL A 106 N PHE A 94
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