Header list of 1e1s.pdb file
Complete list - 25 20 Bytes
HEADER PRION PROTEIN 10-MAY-00 1E1S
TITLE HUMAN PRION PROTEIN VARIANT S170N
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: PRION PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: GLOBULAR DOMAIN 125-228;
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: ESCHERICHIA COLI;
SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562
KEYWDS PRION PROTEIN
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR L.CALZOLAI,D.A.LYSEK,P.GUNTERT,C.VON SCHROETTER,R.ZAHN,
AUTHOR 2 R.RIEK,K.WUTHRICH
REVDAT 2 24-FEB-09 1E1S 1 VERSN
REVDAT 1 21-JUL-00 1E1S 0
JRNL AUTH L.CALZOLAI,D.A.LYSEK,P.GUNTERT,C.VON SCHROETTER,
JRNL AUTH 2 R.ZAHN,R.RIEK,K.WUTHRICH
JRNL TITL NMR STRUCTURES OF THREE SINGLE-RESIDUE VARIANTS OF
JRNL TITL 2 THE HUMAN PRION PROTEIN
JRNL REF PROC.NATL.ACAD.SCI.USA V. 97 8340 2000
JRNL REFN ISSN 0027-8424
JRNL PMID 10900000
JRNL DOI 10.1073/PNAS.97.15.8340
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : OPALP
REMARK 3 AUTHORS : R.KORADI,M.BILLETER,P.GUNTERT
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: NULL
REMARK 4
REMARK 4 1E1S COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 11-MAY-00.
REMARK 100 THE PDBE ID CODE IS EBI-4934.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 293
REMARK 210 PH : 4.5
REMARK 210 IONIC STRENGTH : 50 MM SODIUM ACETATE
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : 750
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : DYANA
REMARK 210 METHOD USED : TORSION ANGLE DYNAMICS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 20
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: MOST REPRESENTATIVE STRUCTURE. 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 400
REMARK 400 COMPOUND
REMARK 400 CHAIN A ENGINEERED MUTATION SER170ASN
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 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 MET A 134 -175.87 -69.85
REMARK 500 SER A 135 -153.09 -70.56
REMARK 500 MET A 154 -74.79 -29.10
REMARK 500 HIS A 155 -78.15 35.62
REMARK 500 ASN A 159 -48.81 -146.75
REMARK 500 ASP A 167 -50.61 171.10
REMARK 500 GLU A 168 -35.32 167.73
REMARK 500 ASN A 171 -166.19 -162.00
REMARK 500 GLN A 172 -75.97 -74.35
REMARK 500
REMARK 500 REMARK: NULL
REMARK 650
REMARK 650 HELIX
REMARK 650 DETERMINATION METHOD: AUTHOR PROVIDED.
REMARK 700
REMARK 700 SHEET
REMARK 700 DETERMINATION METHOD: AUTHOR PROVIDED.
REMARK 900
REMARK 900 RELATED ENTRIES
REMARK 900 RELATED ID: 1E1G RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT M166V
REMARK 900 RELATED ID: 1E1J RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT M166V
REMARK 900 RELATED ID: 1E1P RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT S170N
REMARK 900 RELATED ID: 1E1U RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT R220K
REMARK 900 RELATED ID: 1E1W RELATED DB: PDB
REMARK 900 HUMAN PRION PROTEIN VARIANT R220K
DBREF 1E1S A 125 228 UNP P78446 P78446 118 221
SEQADV 1E1S ASN A 170 UNP P78446 SER 163 ENGINEERED
SEQRES 1 A 104 LEU GLY GLY TYR MET LEU GLY SER ALA MET SER ARG PRO
SEQRES 2 A 104 ILE ILE HIS PHE GLY SER ASP TYR GLU ASP ARG TYR TYR
SEQRES 3 A 104 ARG GLU ASN MET HIS ARG TYR PRO ASN GLN VAL TYR TYR
SEQRES 4 A 104 ARG PRO MET ASP GLU TYR ASN ASN GLN ASN ASN PHE VAL
SEQRES 5 A 104 HIS ASP CYS VAL ASN ILE THR ILE LYS GLN HIS THR VAL
SEQRES 6 A 104 THR THR THR THR LYS GLY GLU ASN PHE THR GLU THR ASP
SEQRES 7 A 104 VAL LYS MET MET GLU ARG VAL VAL GLU GLN MET CYS ILE
SEQRES 8 A 104 THR GLN TYR GLU ARG GLU SER GLN ALA TYR TYR GLN ARG
HELIX 1 H1 ASP A 144 MET A 154 1 11
HELIX 2 H2 ASN A 173 LYS A 194 1 22
HELIX 3 H3 GLU A 200 TYR A 226 1 27
SHEET 1 S1 2 TYR A 128 GLY A 131 0
SHEET 2 S1 2 VAL A 161 ARG A 164 -1
SSBOND 1 CYS A 179 CYS A 214 1555 1555 2.04
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
Complete list - 25 20 Bytes