Header list of 1bjc.pdb file
Complete list - 3 20 Bytes
HEADER GLYCOPROTEIN 23-JUN-98 1BJC
TITLE SOLUTION NMR STRUCTURE OF AMYLOID BETA[F16], RESIDUES 1-28, 15
TITLE 2 STRUCTURES
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: AMYLOID BETA-PEPTIDE;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: ABETA [F16], RESIDUES 1-28;
COMPND 5 ENGINEERED: YES;
COMPND 6 MUTATION: YES
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
SOURCE 3 ORGANISM_COMMON: HUMAN;
SOURCE 4 ORGANISM_TAXID: 9606;
SOURCE 5 EXPRESSION_SYSTEM: UNIDENTIFIED;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 32644
KEYWDS GLYCOPROTEIN, AMYLOID BETA-PEPTIDE, ALZHEIMER'S DISEASE
EXPDTA SOLUTION NMR
NUMMDL 15
AUTHOR S.-A.POULSEN,A.A.WATSON,D.J.CRAIK
REVDAT 4 03-NOV-21 1BJC 1 REMARK SEQADV
REVDAT 3 24-FEB-09 1BJC 1 VERSN
REVDAT 2 01-APR-03 1BJC 1 JRNL
REVDAT 1 18-NOV-98 1BJC 0
JRNL AUTH S.-A.POULSEN,A.A.WATSON,D.J.CRAIK
JRNL TITL SOLUTION STRUCTURES IN AQUEOUS SDS MICELLES OF TWO AMYLOID
JRNL TITL 2 BETA PEPTIDES OF A BETA(1-28) MUTATED AT THE ALPHA-SECRETASE
JRNL TITL 3 CLEAVAGE SITE (K16E, K16F)
JRNL REF J.STRUCT.BIOL. V. 130 142 2000
JRNL REFN ISSN 1047-8477
JRNL PMID 10940222
JRNL DOI 10.1006/JSBI.2000.4267
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN
REMARK 3 JOURNAL CITATION ABOVE
REMARK 4
REMARK 4 1BJC COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.
REMARK 100 THE DEPOSITION ID IS D_1000171824.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 296
REMARK 210 PH : 5.8
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : SDS MICELLES (100MM)/D2O, H2O
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY; TOCSY
REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 750 MHZ
REMARK 210 SPECTROMETER MODEL : AMX-500; DRX-750
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : X-PLOR
REMARK 210 METHOD USED : SIMULATED ANNEALING USING NOE
REMARK 210 DISTANCE CONSTRAINTS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 50
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 15
REMARK 210 CONFORMERS, SELECTION CRITERIA : LOW ENERGY, LOW VIOLATIONS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED FROM 2-DIMENSIONAL NMR DATA
REMARK 210 ON UNLABELLED PEPTIDE
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 60.70 60.07
REMARK 500 1 GLU A 3 35.88 -81.31
REMARK 500 1 PHE A 4 13.12 -154.98
REMARK 500 1 ARG A 5 71.95 -68.31
REMARK 500 1 HIS A 6 -21.00 -177.47
REMARK 500 1 GLU A 11 104.69 -172.26
REMARK 500 1 PHE A 16 -50.39 -132.86
REMARK 500 1 SER A 26 32.77 -88.06
REMARK 500 2 GLU A 3 32.60 -96.51
REMARK 500 2 PHE A 4 62.91 -152.02
REMARK 500 2 ARG A 5 33.16 -164.08
REMARK 500 2 HIS A 6 17.43 51.16
REMARK 500 2 SER A 8 17.06 55.82
REMARK 500 2 TYR A 10 -175.12 -65.62
REMARK 500 2 GLU A 11 113.13 -174.00
REMARK 500 2 HIS A 13 -18.56 67.86
REMARK 500 3 GLU A 3 26.40 -165.83
REMARK 500 3 PHE A 4 34.46 -81.79
REMARK 500 3 HIS A 6 11.97 51.26
REMARK 500 3 TYR A 10 -165.13 -70.71
REMARK 500 3 GLU A 11 115.58 -172.47
REMARK 500 3 HIS A 13 -51.64 -178.15
REMARK 500 3 ALA A 21 -7.71 -55.98
REMARK 500 3 ASP A 23 -34.76 -142.03
REMARK 500 3 SER A 26 14.15 56.54
REMARK 500 4 ARG A 5 49.56 -101.34
REMARK 500 4 GLU A 11 100.17 -171.33
REMARK 500 4 HIS A 13 26.78 44.10
REMARK 500 4 HIS A 14 42.54 36.89
REMARK 500 4 GLN A 15 13.45 -69.74
REMARK 500 4 ASP A 23 32.67 -145.07
REMARK 500 4 VAL A 24 -32.85 -136.30
REMARK 500 4 SER A 26 -42.32 -167.18
REMARK 500 5 PHE A 4 62.14 -107.02
REMARK 500 5 ARG A 5 45.75 -150.52
REMARK 500 5 GLU A 11 122.50 173.82
REMARK 500 5 HIS A 13 -2.37 -169.26
REMARK 500 5 GLN A 15 8.33 -160.15
REMARK 500 5 SER A 26 -39.70 -163.79
REMARK 500 5 ASN A 27 43.79 -87.90
REMARK 500 6 ALA A 2 70.31 -153.37
REMARK 500 6 PHE A 4 29.09 -148.66
REMARK 500 6 HIS A 6 51.84 73.73
REMARK 500 6 GLU A 11 104.84 -170.37
REMARK 500 6 HIS A 13 -59.34 -179.33
REMARK 500 6 HIS A 14 -111.49 -170.47
REMARK 500 6 LEU A 17 -27.67 86.00
REMARK 500 6 GLU A 22 -43.34 -141.83
REMARK 500 7 ALA A 2 -166.46 -77.64
REMARK 500 7 GLU A 11 103.56 -172.17
REMARK 500
REMARK 500 THIS ENTRY HAS 121 RAMACHANDRAN OUTLIERS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1BJC A 1 28 UNP P05067 A4_HUMAN 672 699
SEQADV 1BJC PHE A 16 UNP P05067 LYS 687 ENGINEERED MUTATION
SEQRES 1 A 28 ASP ALA GLU PHE ARG HIS ASP SER GLY TYR GLU VAL HIS
SEQRES 2 A 28 HIS GLN PHE LEU VAL PHE PHE ALA GLU ASP VAL GLY SER
SEQRES 3 A 28 ASN LYS
HELIX 1 1 LEU A 17 VAL A 24 1 8
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 - 3 20 Bytes