Header list of 2cuh.pdb file
Complete list - r 9 2 Bytes
HEADER CELL ADHESION 26-MAY-05 2CUH
TITLE SOLUTION STRUCTURE OF THE 31ST FIBRONECTIN TYPE III DOMAIN OF THE
TITLE 2 HUMAN TENASCIN X
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TENASCIN-X;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: THE 31ST FIBRONECTIN TYPE III DOMAIN;
COMPND 5 SYNONYM: TN-X, HEXABRACHION-LIKE 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: TNXB;
SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 7 EXPRESSION_SYSTEM_PLASMID: P050131-03;
SOURCE 8 OTHER_DETAILS: CELL-FREE PROTEIN SYNTHESIS
KEYWDS FIBRONECTIN TYPE III DOMAIN, TENASCIN X PRECURSOR, EXTRACELLULAR
KEYWDS 2 MATRIX, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN
KEYWDS 3 STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL
KEYWDS 4 GENOMICS/PROTEOMICS INITIATIVE, RSGI, CELL ADHESION
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR S.OHNISHI,T.KIGAWA,N.TOCHIO,S.KOSHIBA,M.INOUE,S.YOKOYAMA,RIKEN
AUTHOR 2 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (RSGI)
REVDAT 3 09-MAR-22 2CUH 1 REMARK SEQADV
REVDAT 2 24-FEB-09 2CUH 1 VERSN
REVDAT 1 26-NOV-05 2CUH 0
JRNL AUTH S.OHNISHI,T.KIGAWA,N.TOCHIO,S.KOSHIBA,M.INOUE,S.YOKOYAMA
JRNL TITL SOLUTION STRUCTURE OF THE 31ST FIBRONECTIN TYPE III DOMAIN
JRNL TITL 2 OF THE HUMAN TENASCIN X
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 2CUH COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-JUN-05.
REMARK 100 THE DEPOSITION ID IS D_1000024632.
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 : 1.33MM PROTEIN U-15N, 13C; 20MM
REMARK 210 D-TRISHCL; 100MM NACL; 1MM D-DTT;
REMARK 210 0.02% NAN3; 90% H2O, 10% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_15N-SEPARATED_NOESY; 3D_13C
REMARK 210 -SEPARATED_NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 900 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 0.9295, CYANA 2.0.17
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS,
REMARK 210 RESTRAINED MOLECULAR DYNAMICS
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 LEAST RESTRAINT 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 SER A 2 100.89 -57.10
REMARK 500 1 PRO A 8 -165.81 -69.80
REMARK 500 1 GLU A 21 39.37 38.38
REMARK 500 1 PRO A 45 88.40 -69.74
REMARK 500 1 LEU A 68 -70.89 -38.64
REMARK 500 1 PRO A 82 3.67 -69.73
REMARK 500 1 GLU A 97 113.59 -160.18
REMARK 500 1 ALA A 98 143.57 -172.26
REMARK 500 1 ARG A 100 50.06 34.61
REMARK 500 1 PRO A 112 -178.79 -69.74
REMARK 500 2 SER A 2 177.79 -56.28
REMARK 500 2 THR A 20 153.49 -41.86
REMARK 500 2 GLU A 21 43.02 -85.58
REMARK 500 2 ASP A 60 131.84 -170.55
REMARK 500 2 PRO A 82 3.64 -69.64
REMARK 500 2 ALA A 98 145.89 -37.35
REMARK 500 2 PRO A 99 -163.91 -69.78
REMARK 500 3 SER A 5 44.02 72.05
REMARK 500 3 PRO A 8 -166.99 -69.74
REMARK 500 3 VAL A 35 -175.37 -61.42
REMARK 500 3 PRO A 45 86.66 -69.79
REMARK 500 3 ASP A 60 142.05 -170.15
REMARK 500 3 PRO A 82 3.45 -69.85
REMARK 500 3 ASP A 101 106.24 -40.40
REMARK 500 4 SER A 2 40.23 39.96
REMARK 500 4 SER A 5 -176.83 -55.82
REMARK 500 4 SER A 6 63.90 -100.89
REMARK 500 4 PRO A 8 -165.15 -69.75
REMARK 500 4 ASP A 36 -60.07 -91.17
REMARK 500 4 ASP A 65 30.44 72.47
REMARK 500 4 LEU A 68 -74.94 -40.99
REMARK 500 4 PRO A 82 3.77 -69.76
REMARK 500 4 GLU A 97 91.75 -42.64
REMARK 500 4 ASP A 101 28.74 41.92
REMARK 500 4 LEU A 102 45.80 39.18
REMARK 500 4 ALA A 104 -75.34 -35.64
REMARK 500 4 GLU A 106 43.59 37.20
REMARK 500 4 SER A 110 45.21 -100.54
REMARK 500 5 PRO A 8 -166.22 -69.83
REMARK 500 5 THR A 20 146.73 -33.88
REMARK 500 5 GLU A 21 30.01 -90.68
REMARK 500 5 VAL A 35 178.05 -56.49
REMARK 500 5 PRO A 45 84.40 -69.73
REMARK 500 5 PRO A 82 3.62 -69.73
REMARK 500 5 LEU A 96 41.55 -83.52
REMARK 500 5 GLU A 103 96.84 -58.83
REMARK 500 5 PRO A 109 -175.06 -69.80
REMARK 500 5 PRO A 112 -179.87 -69.77
REMARK 500 6 SER A 5 43.16 -107.99
REMARK 500 6 PRO A 8 -169.31 -69.81
REMARK 500
REMARK 500 THIS ENTRY HAS 198 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: HSO002001012.1 RELATED DB: TARGETDB
DBREF 2CUH A 8 109 UNP P22105 TENX_HUMAN 3890 3991
SEQADV 2CUH GLY A 1 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH SER A 2 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH SER A 3 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH GLY A 4 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH SER A 5 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH SER A 6 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH GLY A 7 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH ILE A 40 UNP P22105 VAL 3922 SEE REMARK 999
SEQADV 2CUH SER A 110 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH GLY A 111 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH PRO A 112 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH SER A 113 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH SER A 114 UNP P22105 CLONING ARTIFACT
SEQADV 2CUH GLY A 115 UNP P22105 CLONING ARTIFACT
SEQRES 1 A 115 GLY SER SER GLY SER SER GLY PRO ASP GLY PRO THR GLN
SEQRES 2 A 115 LEU ARG ALA LEU ASN LEU THR GLU GLY PHE ALA VAL LEU
SEQRES 3 A 115 HIS TRP LYS PRO PRO GLN ASN PRO VAL ASP THR TYR ASP
SEQRES 4 A 115 ILE GLN VAL THR ALA PRO GLY ALA PRO PRO LEU GLN ALA
SEQRES 5 A 115 GLU THR PRO GLY SER ALA VAL ASP TYR PRO LEU HIS ASP
SEQRES 6 A 115 LEU VAL LEU HIS THR ASN TYR THR ALA THR VAL ARG GLY
SEQRES 7 A 115 LEU ARG GLY PRO ASN LEU THR SER PRO ALA SER ILE THR
SEQRES 8 A 115 PHE THR THR GLY LEU GLU ALA PRO ARG ASP LEU GLU ALA
SEQRES 9 A 115 LYS GLU VAL THR PRO SER GLY PRO SER SER GLY
SHEET 1 A 3 THR A 12 ALA A 16 0
SHEET 2 A 3 ALA A 24 LYS A 29 -1 O HIS A 27 N ARG A 15
SHEET 3 A 3 ASP A 60 LEU A 63 -1 O LEU A 63 N ALA A 24
SHEET 1 C 4 ALA A 47 PRO A 55 0
SHEET 2 C 4 THR A 37 ALA A 44 -1 N TYR A 38 O THR A 54
SHEET 3 C 4 THR A 70 ARG A 80 -1 O THR A 73 N THR A 43
SHEET 4 C 4 ASN A 83 THR A 93 -1 O ALA A 88 N VAL A 76
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 9 2 Bytes