HEADER CHAPERONE 28-MAY-04 1WHG
TITLE SOLUTION STRUCTURE OF THE CAP-GLY DOMAIN IN MOUSE TUBULIN SPECIFIC
TITLE 2 CHAPERONE B
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TUBULIN SPECIFIC CHAPERONE B;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: CAP-GLY 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 2410007D12;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P040223-91;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS MICROTUBULE BINDING, CYTOSKELETON ASSOCIATED PROTEIN, CKAPI,
KEYWDS 2 STRUCTURAL GENOMICS, RIKEN STRUCTURAL GENOMICS/PROTEOMICS
KEYWDS 3 INITIATIVE, RSGI, CHAPERONE
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN STRUCTURAL
AUTHOR 2 GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 02-MAR-22 1WHG 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1WHG 1 VERSN
REVDAT 1 28-NOV-04 1WHG 0
JRNL AUTH K.SAITO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE CAP-GLY DOMAIN IN MOUSE TUBULIN
JRNL TITL 2 SPECIFIC CHAPERONE B
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, CNS 1.1
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER, A.T. (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1WHG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 07-JUN-04.
REMARK 100 THE DEPOSITION ID IS D_1000023584.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.0
REMARK 210 IONIC STRENGTH : 120MM
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1MM PROTEIN, 20MM SODIUM
REMARK 210 PHOSPHATE BUFFER, PH 6.0, 100MM
REMARK 210 NACL, 1MM D-DTT, 0.02% NAN3, 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 : 800 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 20020425, NMRVIEW 5, CNS
REMARK 210 1.1
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
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 SER A 2 95.85 60.43
REMARK 500 1 SER A 5 -60.73 -157.27
REMARK 500 1 ASN A 8 92.18 60.93
REMARK 500 1 GLN A 15 40.09 -99.80
REMARK 500 1 ALA A 19 39.98 -97.15
REMARK 500 1 ALA A 20 -49.04 -146.90
REMARK 500 1 LEU A 23 31.46 -98.82
REMARK 500 1 SER A 31 32.25 -97.98
REMARK 500 1 ALA A 32 -46.48 -134.38
REMARK 500 1 HIS A 46 -72.04 -148.57
REMARK 500 1 PRO A 63 -168.01 -75.59
REMARK 500 1 PRO A 74 77.94 -67.33
REMARK 500 1 TYR A 94 -47.80 -142.00
REMARK 500 1 SER A 108 -63.26 -96.22
REMARK 500 1 SER A 111 -54.41 -157.03
REMARK 500 1 SER A 112 -47.94 -134.84
REMARK 500 2 SER A 2 -74.45 -146.06
REMARK 500 2 SER A 6 98.22 59.73
REMARK 500 2 GLN A 15 30.44 -98.11
REMARK 500 2 GLU A 16 -75.25 -96.61
REMARK 500 2 ALA A 19 39.90 -96.29
REMARK 500 2 ALA A 20 -45.91 -132.44
REMARK 500 2 SER A 31 32.65 -96.85
REMARK 500 2 ALA A 32 -46.06 -133.50
REMARK 500 2 PRO A 44 63.07 -69.98
REMARK 500 2 ASP A 45 -59.03 -122.27
REMARK 500 2 HIS A 46 -67.98 -155.00
REMARK 500 2 PRO A 74 75.86 -69.32
REMARK 500 2 LEU A 75 30.95 -143.25
REMARK 500 2 LYS A 77 -47.09 -142.23
REMARK 500 2 TYR A 87 -49.46 -140.97
REMARK 500 2 TYR A 94 -47.18 -139.61
REMARK 500 2 ASP A 107 88.63 -171.36
REMARK 500 2 SER A 108 -66.67 -106.46
REMARK 500 2 SER A 111 -45.25 -160.39
REMARK 500 3 SER A 2 94.14 60.34
REMARK 500 3 GLN A 15 35.92 -96.87
REMARK 500 3 ALA A 19 39.51 -96.88
REMARK 500 3 ALA A 20 -47.13 -136.44
REMARK 500 3 ARG A 22 31.66 -97.59
REMARK 500 3 SER A 31 30.87 -98.15
REMARK 500 3 HIS A 46 -72.58 -155.80
REMARK 500 3 PRO A 74 83.16 -69.41
REMARK 500 3 LEU A 75 50.06 -149.80
REMARK 500 3 LYS A 77 -49.99 -131.63
REMARK 500 3 TYR A 87 -55.72 -132.07
REMARK 500 3 TYR A 94 -47.26 -145.18
REMARK 500 4 SER A 3 -178.18 60.37
REMARK 500 4 GLN A 15 35.93 -97.52
REMARK 500 4 ALA A 19 40.04 -96.61
REMARK 500
REMARK 500 THIS ENTRY HAS 292 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: MMT007003018.2 RELATED DB: TARGETDB
DBREF 1WHG A 8 107 UNP Q9D1E6 TBCB_MOUSE 134 233
SEQADV 1WHG GLY A 1 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG SER A 2 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG SER A 3 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG GLY A 4 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG SER A 5 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG SER A 6 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG GLY A 7 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG SER A 108 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG GLY A 109 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG PRO A 110 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG SER A 111 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG SER A 112 UNP Q9D1E6 CLONING ARTIFACT
SEQADV 1WHG GLY A 113 UNP Q9D1E6 CLONING ARTIFACT
SEQRES 1 A 113 GLY SER SER GLY SER SER GLY ASN GLU GLU LEU ARG ALA
SEQRES 2 A 113 GLN GLN GLU ALA GLU ALA ALA GLN ARG LEU SER GLU GLU
SEQRES 3 A 113 LYS ALA GLN ALA SER ALA ILE SER VAL GLY SER ARG CYS
SEQRES 4 A 113 GLU VAL ARG ALA PRO ASP HIS SER LEU ARG ARG GLY THR
SEQRES 5 A 113 VAL MET TYR VAL GLY LEU THR ASP PHE LYS PRO GLY TYR
SEQRES 6 A 113 TRP VAL GLY VAL ARG TYR ASP GLU PRO LEU GLY LYS ASN
SEQRES 7 A 113 ASP GLY SER VAL ASN GLY LYS ARG TYR PHE GLU CYS GLN
SEQRES 8 A 113 ALA LYS TYR GLY ALA PHE VAL LYS PRO SER ALA VAL THR
SEQRES 9 A 113 VAL GLY ASP SER GLY PRO SER SER GLY
HELIX 1 1 GLU A 10 ARG A 22 1 13
HELIX 2 2 LEU A 23 SER A 31 1 9
HELIX 3 3 LYS A 99 SER A 101 5 3
SHEET 1 A 5 GLY A 95 VAL A 98 0
SHEET 2 A 5 TYR A 65 TYR A 71 -1 N VAL A 67 O VAL A 98
SHEET 3 A 5 ARG A 49 LEU A 58 -1 N TYR A 55 O GLY A 68
SHEET 4 A 5 ARG A 38 VAL A 41 -1 N CYS A 39 O GLY A 51
SHEET 5 A 5 VAL A 103 ASP A 107 -1 O THR A 104 N GLU A 40
SHEET 1 B 2 SER A 81 VAL A 82 0
SHEET 2 B 2 LYS A 85 ARG A 86 -1 O LYS A 85 N VAL A 82
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