Header list of 1v81.pdb file
Complete list - 2 20 Bytes
HEADER SIGNALING PROTEIN 27-DEC-03 1V81
TITLE SOLUTION STRUCTURES OF UBIQUITIN AT 30 BAR AND 3 KBAR
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: UBIQUITIN/60S RIBOSOMAL PROTEIN L40 FUSION;
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS;
SOURCE 3 ORGANISM_COMMON: CATTLE;
SOURCE 4 ORGANISM_TAXID: 9913
KEYWDS PRESSURE, SIGNALING PROTEIN, STRUCTURAL GENOMICS, NPPSFA, NATIONAL
KEYWDS 2 PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN
KEYWDS 3 STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI
EXPDTA SOLUTION NMR
NUMMDL 10
AUTHOR R.KITAHARA,S.YOKOYAMA,K.AKASAKA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS
AUTHOR 2 INITIATIVE (RSGI)
REVDAT 5 02-MAR-22 1V81 1 REMARK
REVDAT 4 24-FEB-09 1V81 1 VERSN
REVDAT 3 16-OCT-07 1V81 1 AUTHOR KEYWDS REMARK
REVDAT 2 08-MAR-05 1V81 1 JRNL
REVDAT 1 15-FEB-05 1V81 0
JRNL AUTH R.KITAHARA,S.YOKOYAMA,K.AKASAKA
JRNL TITL NMR SNAPSHOTS OF A FLUCTUATING PROTEIN STRUCTURE: UBIQUITIN
JRNL TITL 2 AT 30 BAR-3 KBAR.
JRNL REF J.MOL.BIOL. V. 347 277 2005
JRNL REFN ISSN 0022-2836
JRNL PMID 15740740
JRNL DOI 10.1016/J.JMB.2005.01.052
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 3.0, CYANA 1.06
REMARK 3 AUTHORS : BRUKER (XWINNMR), GUNTERT. P. (CYANA)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL OF
REMARK 3 1143 RESTRAINTS, 1062 ARE NOE-DERIVED DISTANCE CONSTRAINTS, 81
REMARK 3 DIHEDRAL ANGLE RESTRAINTS.
REMARK 4
REMARK 4 1V81 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 05-JAN-04.
REMARK 100 THE DEPOSITION ID IS D_1000006322.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 4.6
REMARK 210 IONIC STRENGTH : 0.03
REMARK 210 PRESSURE : 3000 BAR
REMARK 210 SAMPLE CONTENTS : 10MM UBIQUITIN; 30MM DEUTRATED
REMARK 210 ACETATE BUFFER; 92% H2O, 8% D2O;
REMARK 210 3MM 15N-UBIQUITIN; 30MM
REMARK 210 DEUTRATED ACETATE BUFFER; 95%
REMARK 210 H2O, 5% D2O; 1.8MM 15N-13C-
REMARK 210 UBIQUITIN; 30MM DEUTRATED
REMARK 210 ACETATE BUFFER; 95% H2O, 5% D2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; HNHA; 2D-HNCA
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 2.2, CYANA 1.06, NMRVIEW
REMARK 210 5.0.4
REMARK 210 METHOD USED : SIMULATED ANNEALING TORSION
REMARK 210 ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST
REMARK 210 ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 4
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 ILE A 23 H LYS A 27 1.51
REMARK 500 O LYS A 29 H LYS A 33 1.53
REMARK 500 O LEU A 56 H ILE A 61 1.57
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 LYS A 6 -164.21 -107.15
REMARK 500 1 THR A 7 172.20 171.26
REMARK 500 1 ARG A 54 -159.71 -118.00
REMARK 500 1 ARG A 72 -175.38 48.19
REMARK 500 1 LEU A 73 -172.16 -59.61
REMARK 500 1 ARG A 74 158.01 -43.49
REMARK 500 2 LYS A 6 -151.27 -102.27
REMARK 500 2 THR A 7 170.39 169.91
REMARK 500 2 ILE A 23 -37.71 -39.51
REMARK 500 2 GLN A 40 -69.44 -101.78
REMARK 500 2 GLN A 41 -176.36 -57.49
REMARK 500 2 ARG A 42 114.88 -173.42
REMARK 500 2 ALA A 46 -66.81 74.69
REMARK 500 2 ASP A 52 -70.83 -39.34
REMARK 500 2 ARG A 54 -164.57 -112.37
REMARK 500 2 LEU A 71 161.19 -44.07
REMARK 500 2 LEU A 73 -172.46 -58.24
REMARK 500 3 GLN A 40 -68.06 -95.40
REMARK 500 3 LEU A 50 -89.05 -40.12
REMARK 500 3 GLU A 51 148.45 71.42
REMARK 500 3 ARG A 54 -149.82 -115.30
REMARK 500 3 GLN A 62 -167.90 -79.27
REMARK 500 3 GLU A 64 43.66 37.88
REMARK 500 4 LYS A 6 -157.20 -100.40
REMARK 500 4 THR A 7 173.17 169.36
REMARK 500 4 GLU A 16 70.34 -117.64
REMARK 500 4 GLN A 40 -64.62 -97.88
REMARK 500 4 THR A 55 -165.88 -103.99
REMARK 500 4 LEU A 73 -151.99 -74.77
REMARK 500 5 LYS A 6 -159.40 -105.20
REMARK 500 5 THR A 7 174.55 169.24
REMARK 500 5 LEU A 50 103.09 -56.17
REMARK 500 5 THR A 55 -165.02 -112.03
REMARK 500 5 GLN A 62 -163.81 -79.31
REMARK 500 5 GLU A 64 48.24 38.12
REMARK 500 5 LEU A 71 153.34 -40.13
REMARK 500 5 LEU A 73 -173.56 -53.97
REMARK 500 6 THR A 7 170.37 173.15
REMARK 500 6 GLN A 41 -167.62 -79.25
REMARK 500 6 ARG A 42 132.58 179.14
REMARK 500 6 LEU A 50 91.15 38.51
REMARK 500 6 THR A 55 -163.52 -102.72
REMARK 500 6 LYS A 63 124.59 73.25
REMARK 500 6 GLU A 64 65.50 14.35
REMARK 500 6 LEU A 71 160.79 -40.85
REMARK 500 6 ARG A 72 -162.95 -115.77
REMARK 500 6 ARG A 74 154.63 -40.52
REMARK 500 7 ILE A 3 -168.72 -102.25
REMARK 500 7 LYS A 6 -156.18 -106.02
REMARK 500 7 THR A 7 175.75 166.58
REMARK 500
REMARK 500 THIS ENTRY HAS 88 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1V80 RELATED DB: PDB
REMARK 900 UBIQUITIN AT 30 BAR
REMARK 900 RELATED ID: MY_001000119.2 RELATED DB: TARGETDB
DBREF 1V81 A 1 76 UNP P62990 UBIQ_BOVIN 1 76
SEQRES 1 A 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE
SEQRES 2 A 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL
SEQRES 3 A 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP
SEQRES 4 A 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP
SEQRES 5 A 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER
SEQRES 6 A 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY
HELIX 1 1 THR A 22 GLU A 34 1 13
SHEET 1 A 3 LEU A 15 GLU A 16 0
SHEET 2 A 3 GLN A 2 VAL A 5 -1 N ILE A 3 O LEU A 15
SHEET 3 A 3 THR A 66 LEU A 67 1 O LEU A 67 N PHE A 4
SHEET 1 B 2 ILE A 44 PHE A 45 0
SHEET 2 B 2 LYS A 48 GLN A 49 -1 O LYS A 48 N PHE A 45
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 - 2 20 Bytes