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PDBsum entry 1xq8

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Lipid binding protein PDB id
1xq8
Jmol
Contents
Protein chain
140 a.a.
HEADER    LIPID BINDING PROTEIN                   11-OCT-04   1XQ8
TITLE     HUMAN MICELLE-BOUND ALPHA-SYNUCLEIN
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: ALPHA-SYNUCLEIN;
COMPND   3 CHAIN: A;
COMPND   4 SYNONYM: NON-A BETA COMPONENT OF AD AMYLOID, NON-A4
COMPND   5 COMPONENT OF AMYLOID, NACP;
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: SNCA, NACP;
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-41
KEYWDS    MICELLE-BOUND HELIX, LIPID BINDING PROTEIN
EXPDTA    SOLUTION NMR
MDLTYP    MINIMIZED AVERAGE
AUTHOR    T.S.ULMER,A.BAX,N.B.COLE,R.L.NUSSBAUM
REVDAT   6   24-FEB-09 1XQ8    1       VERSN
REVDAT   5   26-APR-05 1XQ8    1       HEADER
REVDAT   4   12-APR-05 1XQ8    1       JRNL
REVDAT   3   22-FEB-05 1XQ8    1       JRNL
REVDAT   2   08-FEB-05 1XQ8    1       JRNL
REVDAT   1   11-JAN-05 1XQ8    0
JRNL        AUTH   T.S.ULMER,A.BAX,N.B.COLE,R.L.NUSSBAUM
JRNL        TITL   STRUCTURE AND DYNAMICS OF MICELLE-BOUND HUMAN
JRNL        TITL 2 ALPHA-SYNUCLEIN
JRNL        REF    J.BIOL.CHEM.                  V. 280  9595 2005
JRNL        REFN                   ISSN 0021-9258
JRNL        PMID   15615727
JRNL        DOI    10.1074/JBC.M411805200
REMARK   1
REMARK   2
REMARK   2 RESOLUTION. NOT APPLICABLE.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : X-PLOR 2.9.5
REMARK   3   AUTHORS     : BRUNGER
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: PLEASE NOTE THAT LARGE AMPLITUDE
REMARK   3  DYNAMICS ARE PRESENT IN THIS SYSTEM, DESCRIBED IN THE PRIMARY
REMARK   3  CITATION, AND THE REPORTED STRUCTURE MERELY REPRESENTS THE
REMARK   3  EFFECTIVE AVERAGE CONFORMATION OF THE MOLECULE.
REMARK   4
REMARK   4 1XQ8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 09-NOV-04.
REMARK 100 THE RCSB ID CODE IS RCSB030638.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210  EXPERIMENT TYPE                : NMR
REMARK 210  TEMPERATURE           (KELVIN) : 298.2
REMARK 210  PH                             : 7.4
REMARK 210  IONIC STRENGTH                 : 115
REMARK 210  PRESSURE                       : 1 ATM
REMARK 210  SAMPLE CONTENTS                : 0.5 MM ALPHA-SYNUCLEIN 2H,
REMARK 210                                   13C, 15N
REMARK 210
REMARK 210  NMR EXPERIMENTS CONDUCTED      : HNCO-QJ, HN(CO)CA-QJ, HNCO-JNH
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ, 800 MHZ
REMARK 210  SPECTROMETER MODEL             : DRX
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER
REMARK 210
REMARK 210  STRUCTURE DETERMINATION.
REMARK 210   SOFTWARE USED                 : X-PLOR 2.9.5
REMARK 210   METHOD USED                   : MOLECULAR FRAGMENT
REMARK 210                                   REPLACEMENT, SIMULATED
REMARK 210                                   ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA  : AVERAGE STRUCTURE
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
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 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    VAL A  95      101.52    -52.18
REMARK 500    LYS A  96      163.31    -46.73
REMARK 500    GLN A  99      -30.10   -175.72
REMARK 500    LYS A 102       90.03     48.10
REMARK 500    GLU A 105      120.48    168.47
REMARK 500    GLN A 109     -109.53    -57.01
REMARK 500    GLU A 110      -17.46   -171.13
REMARK 500    GLU A 114       -3.87    -54.43
REMARK 500    ASN A 122       30.68   -170.31
REMARK 500    GLU A 123      -52.52     66.99
REMARK 500    ALA A 124     -139.70   -156.57
REMARK 500    TYR A 125      -72.31    -53.41
REMARK 500    GLU A 126       88.83   -151.08
REMARK 500    MET A 127     -171.21     52.67
REMARK 500    GLU A 130     -149.52     35.41
REMARK 500    TYR A 133      -77.99     56.83
REMARK 500    ASP A 135      -17.92   -163.33
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 THE SECONDARY STRUCTURE OF THIS PROTEIN WAS
REMARK 650 AUTHOR DETERMINED
DBREF  1XQ8 A    1   140  UNP    P37840   SYUA_HUMAN       1    140
SEQRES   1 A  140  MET ASP VAL PHE MET LYS GLY LEU SER LYS ALA LYS GLU
SEQRES   2 A  140  GLY VAL VAL ALA ALA ALA GLU LYS THR LYS GLN GLY VAL
SEQRES   3 A  140  ALA GLU ALA ALA GLY LYS THR LYS GLU GLY VAL LEU TYR
SEQRES   4 A  140  VAL GLY SER LYS THR LYS GLU GLY VAL VAL HIS GLY VAL
SEQRES   5 A  140  ALA THR VAL ALA GLU LYS THR LYS GLU GLN VAL THR ASN
SEQRES   6 A  140  VAL GLY GLY ALA VAL VAL THR GLY VAL THR ALA VAL ALA
SEQRES   7 A  140  GLN LYS THR VAL GLU GLY ALA GLY SER ILE ALA ALA ALA
SEQRES   8 A  140  THR GLY PHE VAL LYS LYS ASP GLN LEU GLY LYS ASN GLU
SEQRES   9 A  140  GLU GLY ALA PRO GLN GLU GLY ILE LEU GLU ASP MET PRO
SEQRES  10 A  140  VAL ASP PRO ASP ASN GLU ALA TYR GLU MET PRO SER GLU
SEQRES  11 A  140  GLU GLY TYR GLN ASP TYR GLU PRO GLU ALA
HELIX    1   1 VAL A    3  VAL A   37  1                                  35
HELIX    2   2 LYS A   45  THR A   92  1                                  48
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
      
PROCHECK
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