Header list of 1u89.pdb file
Complete list - r 2 2 Bytes
HEADER STRUCTURAL PROTEIN 05-AUG-04 1U89
TITLE SOLUTION STRUCTURE OF VBS2 FRAGMENT OF TALIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TALIN 1;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: VBS2 DOMAIN;
COMPND 5 SYNONYM: TALIN;
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 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-15B
KEYWDS 4-HELIX BUNDLE, LEFT-HANDED, STRUCTURAL PROTEIN
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR I.FILLINGHAM,A.R.GINGRAS,E.PAPAGRIGORIOU,B.PATEL,J.EMSLEY,
AUTHOR 2 G.C.K.ROBERTS,D.R.CRITCHLEY,I.L.BARSUKOV
REVDAT 3 02-MAR-22 1U89 1 REMARK SEQADV
REVDAT 2 24-FEB-09 1U89 1 VERSN
REVDAT 1 18-JAN-05 1U89 0
JRNL AUTH I.FILLINGHAM,A.R.GINGRAS,E.PAPAGRIGORIOU,B.PATEL,J.EMSLEY,
JRNL AUTH 2 D.R.CRITCHLEY,G.C.ROBERTS,I.L.BARSUKOV
JRNL TITL A VINCULIN BINDING DOMAIN FROM THE TALIN ROD UNFOLDS TO FORM
JRNL TITL 2 A COMPLEX WITH THE VINCULIN HEAD.
JRNL REF STRUCTURE V. 13 65 2005
JRNL REFN ISSN 0969-2126
JRNL PMID 15642262
JRNL DOI 10.1016/J.STR.2004.11.006
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: THE STRUCTURE IS BASED ON 3018 NOE
REMARK 3 DISTANCE RESTRAINTS AND 176 DIHEDRAL TALOS RESTRAINTS
REMARK 4
REMARK 4 1U89 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 09-AUG-04.
REMARK 100 THE DEPOSITION ID IS D_1000023369.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 303
REMARK 210 PH : 6.5
REMARK 210 IONIC STRENGTH : 20MM PHOSPHATE, 50MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : 1.5MM TALIN 755-889 U-15N, 13C;
REMARK 210 20MM PHOSPHATE BUFFER, 20MM NACL,
REMARK 210 0.02% NAN3; 1.5MM TALIN 755-889
REMARK 210 U-15N, 13C; 20MM PHOSPHATE
REMARK 210 BUFFER, 20MM NACL, 0.02% NAN3;
REMARK 210 1.5MM TALIN 755-889 U-15N; 20MM
REMARK 210 PHOSPHATE BUFFER, 20MM NACL,
REMARK 210 0.02% NAN3; 1.5MM TALIN 755-889;
REMARK 210 20MM PHOSPHATE BUFFER, 20MM NACL,
REMARK 210 0.02% NAN3
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY; 3D_15N
REMARK 210 -SEPARATED_NOESY; 2D NOESY
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 800 MHZ
REMARK 210 SPECTROMETER MODEL : DRX; INOVA
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER; VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE 2003, NMRVIEW 5.0.16,
REMARK 210 CYANA 1.0.6, ARIA 1.2
REMARK 210 METHOD USED : DISTANCE GEOMETRY, TORTION ANGLE
REMARK 210 DYNAMICS, SIMMULATED 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: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR
REMARK 210 SPECTROSCOPY
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
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 HIS A 753 -100.05 -81.50
REMARK 500 1 MET A 754 72.25 -163.77
REMARK 500 1 GLN A 755 -102.56 -106.74
REMARK 500 1 ALA A 789 166.91 68.73
REMARK 500 1 ARG A 797 146.04 -172.03
REMARK 500 1 MET A 816 96.89 -68.67
REMARK 500 1 ALA A 819 -65.82 68.00
REMARK 500 1 ALA A 878 49.69 -84.26
REMARK 500 1 ALA A 879 -105.23 56.56
REMARK 500 2 ALA A 756 -91.56 64.15
REMARK 500 2 ALA A 757 25.55 -145.91
REMARK 500 2 ALA A 789 -84.65 65.28
REMARK 500 2 ALA A 792 -53.59 -151.45
REMARK 500 2 ALA A 879 -70.56 -70.54
REMARK 500 2 ASP A 882 -43.39 73.91
REMARK 500 2 GLU A 885 -145.86 -169.29
REMARK 500 2 GLN A 887 86.61 -178.66
REMARK 500 3 SER A 752 -72.92 -80.77
REMARK 500 3 HIS A 753 61.64 -161.74
REMARK 500 3 GLN A 762 49.47 -89.25
REMARK 500 3 HIS A 788 -11.14 -143.99
REMARK 500 3 ALA A 879 -45.86 -132.44
REMARK 500 3 GLU A 885 -113.59 59.35
REMARK 500 3 GLN A 887 33.50 -98.78
REMARK 500 4 MET A 754 114.92 -163.76
REMARK 500 4 ALA A 756 -67.93 69.95
REMARK 500 4 ALA A 757 -141.63 -173.64
REMARK 500 4 ALA A 789 -67.90 -164.81
REMARK 500 4 THR A 790 50.62 -118.13
REMARK 500 4 ALA A 792 -120.31 59.52
REMARK 500 4 MET A 816 98.86 -64.77
REMARK 500 4 ALA A 879 -125.40 48.24
REMARK 500 4 GLN A 887 -116.31 55.22
REMARK 500 4 GLN A 888 47.26 -153.56
REMARK 500 5 SER A 752 40.17 -81.70
REMARK 500 5 HIS A 753 74.60 56.62
REMARK 500 5 ARG A 797 140.52 178.74
REMARK 500 5 SER A 848 -70.16 -67.60
REMARK 500 5 HIS A 880 98.00 64.85
REMARK 500 5 GLN A 888 37.30 -97.15
REMARK 500 6 ALA A 795 -167.42 -160.19
REMARK 500 6 ALA A 878 52.59 -100.20
REMARK 500 6 ASP A 882 50.26 -90.56
REMARK 500 6 SER A 883 -155.30 -89.89
REMARK 500 6 GLU A 884 -70.97 75.92
REMARK 500 6 GLU A 885 -103.31 57.20
REMARK 500 6 GLN A 886 -65.67 -155.58
REMARK 500 6 GLN A 887 104.81 -179.83
REMARK 500 7 HIS A 788 -132.39 -147.62
REMARK 500 7 ALA A 789 171.98 73.69
REMARK 500
REMARK 500 THIS ENTRY HAS 175 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1SJ7 RELATED DB: PDB
REMARK 900 STUCTURE OF TALIN 482-655
REMARK 900 RELATED ID: 1SJ8 RELATED DB: PDB
REMARK 900 STUCTURE OF TALIN 482-789
DBREF 1U89 A 755 889 UNP P26039 TLN1_MOUSE 755 889
SEQADV 1U89 GLY A 751 UNP P26039 CLONING ARTIFACT
SEQADV 1U89 SER A 752 UNP P26039 CLONING ARTIFACT
SEQADV 1U89 HIS A 753 UNP P26039 CLONING ARTIFACT
SEQADV 1U89 MET A 754 UNP P26039 CLONING ARTIFACT
SEQRES 1 A 139 GLY SER HIS MET GLN ALA ALA THR GLU ASP GLY GLN LEU
SEQRES 2 A 139 LEU ARG GLY VAL GLY ALA ALA ALA THR ALA VAL THR GLN
SEQRES 3 A 139 ALA LEU ASN GLU LEU LEU GLN HIS VAL LYS ALA HIS ALA
SEQRES 4 A 139 THR GLY ALA GLY PRO ALA GLY ARG TYR ASP GLN ALA THR
SEQRES 5 A 139 ASP THR ILE LEU THR VAL THR GLU ASN ILE PHE SER SER
SEQRES 6 A 139 MET GLY ASP ALA GLY GLU MET VAL ARG GLN ALA ARG ILE
SEQRES 7 A 139 LEU ALA GLN ALA THR SER ASP LEU VAL ASN ALA ILE LYS
SEQRES 8 A 139 ALA ASP ALA GLU GLY GLU SER ASP LEU GLU ASN SER ARG
SEQRES 9 A 139 LYS LEU LEU SER ALA ALA LYS ILE LEU ALA ASP ALA THR
SEQRES 10 A 139 ALA LYS MET VAL GLU ALA ALA LYS GLY ALA ALA ALA HIS
SEQRES 11 A 139 PRO ASP SER GLU GLU GLN GLN GLN ARG
HELIX 1 2 GLN A 762 ALA A 787 1 26
HELIX 2 3 TYR A 798 SER A 815 1 18
HELIX 3 4 ALA A 819 ALA A 844 1 26
HELIX 4 6 LEU A 850 ALA A 877 1 28
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