Header list of 1yxr.pdb file
Complete list - r 2 2 Bytes
HEADER PROTEIN TRAFFICKING 22-FEB-05 1YXR
TITLE NMR STRUCTURE OF VPS4A MIT DOMAIN
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: VACUOLAR PROTEIN SORTING FACTOR 4A;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: MIT DOMAIN;
COMPND 5 SYNONYM: VPS4A ; SKD1 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: 27183;
SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21;
SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693;
SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21;
SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET16B;
SOURCE 11 OTHER_DETAILS: PET16B REENGINEERED TO CONTAIN A TEV CLEAVAGE SITE IN
SOURCE 12 PLACE OF THE NORMAL FACTOR XA SITE
KEYWDS VPS4; MIT DOMAIN, PROTEIN TRAFFICKING
EXPDTA SOLUTION NMR
NUMMDL 20
AUTHOR J.A.SCOTT,J.GASPAR,M.STUCHELL,S.ALAM,J.SKALICKY,W.I.SUNDQUIST
REVDAT 3 02-MAR-22 1YXR 1 REMARK
REVDAT 2 24-FEB-09 1YXR 1 VERSN
REVDAT 1 06-SEP-05 1YXR 0
JRNL AUTH J.A.SCOTT,J.GASPAR,M.STUCHELL,S.ALAM,J.SKALICKY,
JRNL AUTH 2 W.I.SUNDQUIST
JRNL TITL NMR STRUCTURE OF VPS4A MIT DOMAIN
JRNL REF TO BE PUBLISHED
JRNL REFN
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : FELIX 97, CNS 1.1
REMARK 3 AUTHORS : ACCELYRS, SAN DIEGO (FELIX), AT BRUNGER, ET AL.
REMARK 3 (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON 1432 NOE
REMARK 3 DERIVED DISTANCE CONSTRAINTS, 150 DIHEDRAL ANGLE CONSTRAINTS
REMARK 3 (GENERATED BY TALOS) AND 114 DISTANCE CONSTRAINTS FROM HYDROGEN
REMARK 3 BONDS
REMARK 4
REMARK 4 1YXR COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-MAR-05.
REMARK 100 THE DEPOSITION ID IS D_1000032045.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 5.5
REMARK 210 IONIC STRENGTH : 50 MM NACL
REMARK 210 PRESSURE : AMBIENT
REMARK 210 SAMPLE CONTENTS : UNIFORM LABELING WITH 15N AND
REMARK 210 13C.
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 : INOVA
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : SPARKY 3.110, CYANA 2.0
REMARK 210 METHOD USED : AUTOMATED NOE ASSIGNMENT USING
REMARK 210 CYANA AND TORSION ANGLE DYNAMICS
REMARK 210 FOR STRUCTURE CALCULATIONS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20
REMARK 210 CONFORMERS, SELECTION CRITERIA : ALL CALCULATED STRUCTURES
REMARK 210 SUBMITTED
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 18
REMARK 210
REMARK 210 REMARK: THIS STRUCTURE WAS DETERMINED USING STANDARD 3D
REMARK 210 HETERONUCLEAR TECHNIQUES
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 ASN A 24 46.12 -109.04
REMARK 500 1 HIS A 48 -165.72 -108.10
REMARK 500 2 ASN A 24 46.14 -107.97
REMARK 500 2 HIS A 48 -169.15 -106.41
REMARK 500 3 ASN A 24 46.11 -106.54
REMARK 500 4 TYR A 45 -63.95 -91.02
REMARK 500 5 ASN A 24 46.18 -109.44
REMARK 500 5 HIS A 48 -165.36 -106.30
REMARK 500 7 HIS A 48 -167.16 -114.82
REMARK 500 8 HIS A 48 -168.13 -127.96
REMARK 500 9 HIS A 48 -166.92 -105.23
REMARK 500 10 HIS A 48 -167.79 -100.08
REMARK 500 11 TYR A 45 -64.39 -90.53
REMARK 500 11 HIS A 48 -168.40 -120.56
REMARK 500 14 HIS A 48 -168.04 -107.01
REMARK 500 15 HIS A 48 -166.27 -107.16
REMARK 500 18 HIS A 48 -168.33 -77.41
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1XWI RELATED DB: PDB
REMARK 900 VPS4B CRYSTAL STUCTURE
DBREF 1YXR A 1 77 UNP Q9UN37 VPS4A_HUMAN 1 77
SEQRES 1 A 77 MET THR THR SER THR LEU GLN LYS ALA ILE ASP LEU VAL
SEQRES 2 A 77 THR LYS ALA THR GLU GLU ASP LYS ALA LYS ASN TYR GLU
SEQRES 3 A 77 GLU ALA LEU ARG LEU TYR GLN HIS ALA VAL GLU TYR PHE
SEQRES 4 A 77 LEU HIS ALA ILE LYS TYR GLU ALA HIS SER ASP LYS ALA
SEQRES 5 A 77 LYS GLU SER ILE ARG ALA LYS CYS VAL GLN TYR LEU ASP
SEQRES 6 A 77 ARG ALA GLU LYS LEU LYS ASP TYR LEU ARG SER LYS
HELIX 1 1 SER A 4 ALA A 22 1 19
HELIX 2 2 ASN A 24 GLU A 46 1 23
HELIX 3 3 SER A 49 LYS A 77 1 29
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