Header list of 1y32.pdb file
Complete list - 2 20 Bytes
HEADER UNKNOWN FUNCTION 23-NOV-04 1Y32
TITLE NMR STRUCTURE OF HUMANIN IN 30% TFE SOLUTION
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: HUMANIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: HUMANIN WAS PREPARED BY FMOC-SOLID PHASE SYNTHESIS ON
SOURCE 4 -CL-TRITYL-AMIDOMETHYL POLYSTYRENE RESIN. THE PEPTIDE WAS PURIFIED
SOURCE 5 TO 95% WITH SEMI-PREPARATIVE RP-HPLC AND SUITABLY CHARACTERIZED.
SOURCE 6 EVANGELOU, A., ZIKOS, C., LIVANIOU, E., AND EVANGELATOS, G.P. (2004)
SOURCE 7 HIGH-YIELD, SOLID-PHASE SYNTHESIS OF HUMANIN, AN ALZHEIMER S DISEASE
SOURCE 8 ASSOCIATED, NOVEL 24-MER PEPTIDE WHICH CONTAINS A DIFFICULT
SOURCE 9 SEQUENCE, J. PEPTIDE SCIENCE 10, 631-635.
KEYWDS HUMANIN, NMR SOLUTION STRUCTURE, ALZHEIMER'S DISEASE,
KEYWDS 2 NEUROPROTECTION, UNKNOWN FUNCTION
EXPDTA SOLUTION NMR
NUMMDL 14
AUTHOR D.BENAKI,C.ZIKOS,A.EVANGELOU,E.LIVANIOU,M.VLASSI,E.MIKROS,M.PELECANOU
REVDAT 3 02-MAR-22 1Y32 1 REMARK
REVDAT 2 24-FEB-09 1Y32 1 VERSN
REVDAT 1 22-FEB-05 1Y32 0
JRNL AUTH D.BENAKI,C.ZIKOS,A.EVANGELOU,E.LIVANIOU,M.VLASSI,E.MIKROS,
JRNL AUTH 2 M.PELECANOU
JRNL TITL SOLUTION STRUCTURE OF HUMANIN, A PEPTIDE AGAINST ALZHEIMER'S
JRNL TITL 2 DISEASE-RELATED NEUROTOXICITY.
JRNL REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 329 152 2005
JRNL REFN ISSN 0006-291X
JRNL PMID 15721287
JRNL DOI 10.1016/J.BBRC.2005.01.100
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 (CNS)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1Y32 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-NOV-04.
REMARK 100 THE DEPOSITION ID IS D_1000031053.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298; 280
REMARK 210 PH : 2.7; 2.7
REMARK 210 IONIC STRENGTH : 60 MICROM SODIUM AZIDE; 60
REMARK 210 MICROM SODIUM AZIDE
REMARK 210 PRESSURE : AMBIENT; AMBIENT
REMARK 210 SAMPLE CONTENTS : NMR STUDIES OF HUMANIN WERE
REMARK 210 CARRIED OUT IN H2O/TFE-D3 7:3
REMARK 210 SOLUTION CONTAINING 60 MICROM
REMARK 210 NAN3 AT 280 AND 298 K. THE
REMARK 210 CONCENTRATION OF THE SAMPLE WAS
REMARK 210 1.7 MM AND THE PH OF THE
REMARK 210 SOLUTION WAS 2.7 (UNCORRECTED
REMARK 210 FOR THE PRESENCE OF TFE).
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; 2D TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ
REMARK 210 SPECTROMETER MODEL : AVANCE
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : XWINNMR 2.6, SPARKY 3, CNS 1.1
REMARK 210 METHOD USED : SIMULATED ANNEALING TORSION
REMARK 210 ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 300
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 14
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: THIS STRUCTURE WAS DETERMINED USING STANDARD 2D
REMARK 210 HOMONUCLEAR 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 ALA A 2 88.34 60.12
REMARK 500 1 SER A 14 -46.43 -130.50
REMARK 500 1 LYS A 21 -39.67 -178.02
REMARK 500 2 ARG A 22 43.46 -177.54
REMARK 500 2 ARG A 23 -76.39 -155.88
REMARK 500 3 SER A 14 -46.24 -130.66
REMARK 500 4 SER A 14 -46.26 -132.01
REMARK 500 4 LYS A 21 -174.92 57.73
REMARK 500 4 ARG A 22 -45.93 -131.50
REMARK 500 4 ARG A 23 -51.85 -173.86
REMARK 500 5 LYS A 21 -49.64 -152.92
REMARK 500 5 ARG A 22 -72.27 -154.68
REMARK 500 6 ALA A 2 153.55 61.48
REMARK 500 6 SER A 14 -46.30 -134.47
REMARK 500 7 ALA A 2 92.87 60.98
REMARK 500 7 SER A 14 -46.29 -131.23
REMARK 500 7 LYS A 21 -78.04 63.20
REMARK 500 7 ARG A 22 -79.43 64.19
REMARK 500 7 ARG A 23 -177.99 -177.91
REMARK 500 8 ALA A 2 162.74 60.54
REMARK 500 8 ARG A 23 -70.33 -155.18
REMARK 500 10 ALA A 2 88.21 -166.33
REMARK 500 10 LYS A 21 80.30 60.38
REMARK 500 11 LEU A 10 -75.77 -54.89
REMARK 500 11 SER A 14 -46.27 -135.96
REMARK 500 11 VAL A 20 77.65 43.18
REMARK 500 11 LYS A 21 103.66 69.19
REMARK 500 11 ARG A 22 -63.58 -148.11
REMARK 500 11 ARG A 23 104.62 59.58
REMARK 500 12 VAL A 20 33.08 -92.50
REMARK 500 12 ARG A 22 -56.46 -135.62
REMARK 500 13 LYS A 21 156.66 176.20
REMARK 500 13 ARG A 22 -64.14 -152.55
REMARK 500 13 ARG A 23 -71.00 -164.12
REMARK 500 14 VAL A 20 32.56 -93.68
REMARK 500 14 ARG A 22 46.05 -94.39
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1Y32 A 1 24 UNP Q8IVG9 HUNIN_HUMAN 1 24
SEQRES 1 A 24 MET ALA PRO ARG GLY PHE SER CYS LEU LEU LEU LEU THR
SEQRES 2 A 24 SER GLU ILE ASP LEU PRO VAL LYS ARG ARG ALA
HELIX 1 1 PRO A 3 ILE A 16 1 14
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