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PDBsum entry 2jn5

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Lipid binding protein, protein fibril PDB id
2jn5
Jmol
Contents
Protein chain
12 a.a.
HEADER    LIPID BINDING PROTEIN, PROTEIN FIBRIL   28-DEC-06   2JN5
TITLE     SOLUTION STRUCTURE OF A DODECAPEPTIDE FROM ALPHA-SYNUCLEIN BOUND WITH
TITLE    2 SYNPHILIN-1
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: ALPHA-SYNUCLEIN;
COMPND   3 CHAIN: A;
COMPND   4 FRAGMENT: RESIDUES 1-12;
COMPND   5 SYNONYM: NON-A BETA COMPONENT OF AD AMYLOID, NON-A4 COMPONENT OF
COMPND   6 AMYLOID PRECURSOR, NACP;
COMPND   7 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 SYNTHETIC: YES;
SOURCE   3 OTHER_DETAILS: THE PEPTIDE IS NATURALLY FOUND IN HOMO SAPIENS.
KEYWDS    ALPHA-SYNUCLEIN, N-TERMINUS, DODECAPEPTIDE, SYNPHILIN-1, LIPID
KEYWDS   2 BINDING PROTEIN, PROTEIN FIBRIL
EXPDTA    SOLUTION NMR
NUMMDL    10
AUTHOR    C.J.ZHOU,H.Y.HU,D.H.LIN
REVDAT   3   12-MAY-10 2JN5    1       JRNL
REVDAT   2   24-FEB-09 2JN5    1       VERSN
REVDAT   1   22-JAN-08 2JN5    0
JRNL        AUTH   Y.Y.XIE,C.J.ZHOU,Z.R.ZHOU,J.HONG,M.X.CHE,Q.S.FU,A.X.SONG,
JRNL        AUTH 2 D.H.LIN,H.Y.HU
JRNL        TITL   INTERACTION WITH SYNPHILIN-1 PROMOTES INCLUSION FORMATION
JRNL        TITL 2 OF ALPHA-SYNUCLEIN: MECHANISTIC INSIGHTS AND PATHOLOGICAL
JRNL        TITL 3 IMPLICATION.
JRNL        REF    FASEB J.                      V.  24   196 2010
JRNL        REFN                   ISSN 0892-6638
JRNL        PMID   19762560
JRNL        DOI    10.1096/FJ.09-133082
REMARK   2
REMARK   2 RESOLUTION. NOT APPLICABLE.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : ARIA 2.0
REMARK   3   AUTHORS     : LINGE, O'DONOGHUE AND NILGES
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: NULL
REMARK   4
REMARK   4 2JN5 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 02-JAN-07.
REMARK 100 THE RCSB ID CODE IS RCSB100041.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210  EXPERIMENT TYPE                : NMR
REMARK 210  TEMPERATURE           (KELVIN) : 298
REMARK 210  PH                             : 6.5
REMARK 210  IONIC STRENGTH                 : NULL
REMARK 210  PRESSURE                       : AMBIENT
REMARK 210  SAMPLE CONTENTS                : 1 MM PEPTIDE, 20 MM SODIUM
REMARK 210                                   PHOSPHATE, 50 MM SODIUM CHLORIDE,
REMARK 210                                   0.1 MM SYNPHILIN-1, 90% H2O, 10%
REMARK 210                                   D2O
REMARK 210
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-1H TOCSY; 2D 1H-1H 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                 : NMRDRAW 2.3, SPARKY 3.110, ARIA
REMARK 210                                   2.0
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 250
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 10
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST ENERGY
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 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   H    ASP A     2     HZ2  LYS A    12              1.45
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 ASP A   2       81.11   -151.30
REMARK 500  1 VAL A   3      -17.58   -152.78
REMARK 500  1 LEU A   8      -41.45   -153.89
REMARK 500  1 SER A   9      -35.23   -172.64
REMARK 500  1 LYS A  10       78.69     48.81
REMARK 500  2 VAL A   3      -22.25   -159.29
REMARK 500  2 LEU A   8      -34.79   -157.87
REMARK 500  2 SER A   9      -40.64   -172.82
REMARK 500  2 LYS A  10       78.01     52.48
REMARK 500  3 VAL A   3      -19.57   -152.35
REMARK 500  3 LEU A   8      -38.08   -160.52
REMARK 500  3 SER A   9      -45.21   -172.72
REMARK 500  4 VAL A   3      -18.30   -157.75
REMARK 500  4 LEU A   8      -39.49   -155.64
REMARK 500  4 SER A   9      -43.47   -165.94
REMARK 500  4 LYS A  10       82.08     52.66
REMARK 500  5 VAL A   3      -18.71   -151.39
REMARK 500  5 LEU A   8      -43.25   -154.56
REMARK 500  5 SER A   9      -39.46   -163.61
REMARK 500  5 LYS A  10       79.85     52.64
REMARK 500  6 ASP A   2       73.53   -150.70
REMARK 500  6 VAL A   3      -19.45   -140.42
REMARK 500  6 LEU A   8      -44.29   -148.32
REMARK 500  6 SER A   9      -35.57   -164.90
REMARK 500  6 LYS A  10       83.24     51.41
REMARK 500  7 VAL A   3      -20.49   -159.16
REMARK 500  7 LEU A   8      -41.64   -156.60
REMARK 500  7 SER A   9      -41.59   -160.89
REMARK 500  7 LYS A  10       74.95     51.89
REMARK 500  8 ASP A   2       87.96   -150.97
REMARK 500  8 VAL A   3      -20.11   -157.39
REMARK 500  8 LEU A   8      -42.10   -145.22
REMARK 500  8 SER A   9      -34.24   -178.35
REMARK 500  8 LYS A  10       88.09     53.88
REMARK 500  9 ASP A   2       83.63   -150.66
REMARK 500  9 VAL A   3      -20.66   -151.39
REMARK 500  9 LEU A   8      -47.33   -161.58
REMARK 500  9 SER A   9      -40.04   -164.65
REMARK 500  9 LYS A  10       83.50     53.11
REMARK 500 10 VAL A   3      -17.19   -148.60
REMARK 500 10 LEU A   8      -35.33   -159.42
REMARK 500 10 SER A   9      -48.37   -161.00
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 15095   RELATED DB: BMRB
DBREF  2JN5 A    1    12  UNP    P37840   SYUA_HUMAN       1     12
SEQRES   1 A   12  MET ASP VAL PHE MET LYS GLY LEU SER LYS ALA LYS
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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 References