Header list of 1e3y.pdb file
Complete list - 25 20 Bytes
HEADER APOPTOSIS 26-JUN-00 1E3Y
TITLE DEATH DOMAIN FROM HUMAN FADD/MORT1
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: FADD PROTEIN;
COMPND 3 CHAIN: A;
COMPND 4 FRAGMENT: DEATH DOMAIN RESIDUES 93-192;
COMPND 5 SYNONYM: FAS-ASSOCIATING DEATH DOMAIN-CONTAINING PROTEIN;
COMPND 6 ENGINEERED: YES;
COMPND 7 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: 469008;
SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: T7;
SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET14B;
SOURCE 10 OTHER_DETAILS: PCR CLONING INTO N-TERMINAL 6*HIS TAG
SOURCE 11 THROMBIN-CLEAVABLE FUSION PROTEIN
KEYWDS APOPTOSIS, DEATH DOMAIN, ADAPTER MOLECULE, FAS RECEPTOR
KEYWDS 2 DEATH INDUCING SIGNALLING COMPLEX
EXPDTA SOLUTION NMR
MDLTYP MINIMIZED AVERAGE
AUTHOR P.C.DRISCOLL,H.BERGLUND,D.OLERENSHAW,N.Q.MCDONALD
REVDAT 2 24-FEB-09 1E3Y 1 VERSN
REVDAT 1 06-NOV-00 1E3Y 0
JRNL AUTH H.BERGLUND,D.OLERENSHAW,A.SANKAR,M.FEDERWISCH,
JRNL AUTH 2 N.Q.MCDONALD,P.C.DRISCOLL
JRNL TITL THE THREE-DIMENSIONAL SOLUTION STRUCTURE AND
JRNL TITL 2 DYNAMIC PROPERTIES OF THE HUMAN FADD DEATH DOMAIN
JRNL REF J.MOL.BIOL. V. 302 171 2000
JRNL REFN ISSN 0022-2836
JRNL PMID 10964568
JRNL DOI 10.1006/JMBI.2000.4011
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.851
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT DETAILS CAN BE FOUND IN
REMARK 3 THE JRNL CITATION ABOVE.
REMARK 4
REMARK 4 1E3Y COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 27-JUN-00.
REMARK 100 THE PDBE ID CODE IS EBI-5098.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 298
REMARK 210 PH : 6.2
REMARK 210 IONIC STRENGTH : 50 MM PHOSPHATE BUFFER,
REMARK 210 150MM NACL
REMARK 210 PRESSURE : 1 ATM
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : VARIOUS DOUBLE; TRIPLE
REMARK 210 RESONANCES EXPERIMENTS
REMARK 210 SPECTROMETER FIELD STRENGTH : 600
REMARK 210 SPECTROMETER MODEL : UNITYPLUS 600
REMARK 210 SPECTROMETER MANUFACTURER : VARIAN NMR INC.
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NMRPIPE, ANSIG, X-PLOR
REMARK 210 METHOD USED : SIMULATED ANNEALING FROM
REMARK 210 RANDOM CHAIN STARTING CONFORMERS
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 100
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION
REMARK 210 AND GOOD NON-BONDED CONTACTS
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE
REMARK 210 NMR SPECTROSCOPY ON 13C, 15N-LABELED FADD-DD. FULL
REMARK 210 DETAILS ARE GIVEN IN BERGLUND ET AL., J. MOL. BIOL.
REMARK 210 (2000), IN PRESS
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 CHIAN A EXTRA GLY-SER-HIS-MET- AT N-TERMINUS
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT
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 O GLU A 95 - H LEU A 97 1.43
REMARK 500 O TRP A 112 - H ALA A 116 1.44
REMARK 500 O LYS A 125 - H ILE A 129 1.57
REMARK 500 O SER A 144 - H ILE A 147 1.44
REMARK 500 O ARG A 184 - H ASN A 188 1.55
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 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 SER A 90 105.57 -166.37
REMARK 500 GLU A 94 32.57 -91.28
REMARK 500 GLU A 95 152.47 -40.99
REMARK 500 ASP A 96 -58.50 62.16
REMARK 500 LYS A 110 20.08 -173.02
REMARK 500 LYS A 120 40.60 102.81
REMARK 500 LEU A 145 -55.36 -27.54
REMARK 500 TRP A 148 -58.08 -27.08
REMARK 500 LYS A 153 -65.23 -27.44
REMARK 500 ALA A 156 40.67 -104.88
REMARK 500 ARG A 189 -140.82 37.43
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: PLANAR GROUPS
REMARK 500
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS
REMARK 500 AN RMSD GREATER THAN THIS VALUE
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 M RES CSSEQI RMS TYPE
REMARK 500 ARG A 113 0.15 SIDE CHAIN
REMARK 500 ARG A 114 0.20 SIDE CHAIN
REMARK 500 ARG A 117 0.32 SIDE CHAIN
REMARK 500 ARG A 132 0.32 SIDE CHAIN
REMARK 500 ARG A 135 0.19 SIDE CHAIN
REMARK 500 ARG A 140 0.11 SIDE CHAIN
REMARK 500 ARG A 142 0.28 SIDE CHAIN
REMARK 500 ARG A 146 0.21 SIDE CHAIN
REMARK 500 ARG A 166 0.30 SIDE CHAIN
REMARK 500 ARG A 184 0.22 SIDE CHAIN
REMARK 500 ARG A 189 0.26 SIDE CHAIN
REMARK 500
REMARK 500 REMARK: NULL
REMARK 900
REMARK 900 RELATED ID: 1A1W RELATED DB: PDB
REMARK 900 FADD DEATH EFFECTOR DOMAIN, F25Y MUTANT, NMR MINIMIZED
REMARK 900 AVERAGE STRUCTURE
REMARK 900 RELATED ID: 1A1Z RELATED DB: PDB
REMARK 900 FADD DEATH EFFECTOR DOMAIN, F25G MUTANT, NMR MINIMIZED
REMARK 900 AVERAGE STRUCTURE
REMARK 900 RELATED ID: 1E41 RELATED DB: PDB
REMARK 900 DEATH DOMAIN FROM HUMAN FADD/MORT1
DBREF 1E3Y A 89 92 PDB 1E3Y 1E3Y 89 92
DBREF 1E3Y A 93 192 UNP Q13158 FADD_HUMAN 93 192
SEQRES 1 A 104 GLY SER HIS MET GLY GLU GLU ASP LEU CYS ALA ALA PHE
SEQRES 2 A 104 ASN VAL ILE CYS ASP ASN VAL GLY LYS ASP TRP ARG ARG
SEQRES 3 A 104 LEU ALA ARG GLN LEU LYS VAL SER ASP THR LYS ILE ASP
SEQRES 4 A 104 SER ILE GLU ASP ARG TYR PRO ARG ASN LEU THR GLU ARG
SEQRES 5 A 104 VAL ARG GLU SER LEU ARG ILE TRP LYS ASN THR GLU LYS
SEQRES 6 A 104 GLU ASN ALA THR VAL ALA HIS LEU VAL GLY ALA LEU ARG
SEQRES 7 A 104 SER CYS GLN MET ASN LEU VAL ALA ASP LEU VAL GLN GLU
SEQRES 8 A 104 VAL GLN GLN ALA ARG ASP LEU GLN ASN ARG SER GLY ALA
HELIX 1 1 ASP A 96 ASN A 107 1 12
HELIX 2 2 ASP A 111 VAL A 121 1 11
HELIX 3 3 SER A 122 TYR A 133 1 12
HELIX 4 4 ASN A 136 LYS A 153 1 18
HELIX 5 5 THR A 157 CYS A 168 1 12
HELIX 6 6 MET A 170 ASN A 188 1 19
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