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HEADER APOPTOSIS 18-DEC-97 1A1Z TITLE FADD DEATH EFFECTOR DOMAIN, F25G MUTANT, NMR MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: FADD PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: DEATH EFFECTOR DOMAIN; 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 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_STRAIN: HMS174 (DE3); SOURCE 6 EXPRESSION_SYSTEM_VECTOR_TYPE: PROKARYOTIC; SOURCE 7 OTHER_DETAILS: SYNTHETIC GENE KEYWDS APOPTOSIS, DEATH EFFECTOR DOMAIN EXPDTA NMR AUTHOR M.EBERSTADT,B.HUANG,Z.CHEN,R.P.MEADOWS,C.NG,S.W.FESIK REVDAT 2 16-FEB-99 1A1Z 1 SOURCE COMPND REMARK JRNL REVDAT 2 2 1 EXPDTA KEYWDS HEADER REVDAT 1 30-DEC-98 1A1Z 0 JRNL AUTH M.EBERSTADT,B.HUANG,Z.CHEN,R.P.MEADOWS,S.C.NG, JRNL AUTH 2 L.ZHENG,M.J.LENARDO,S.W.FESIK JRNL TITL NMR STRUCTURE AND MUTAGENESIS OF THE FADD (MORT1) JRNL TITL 2 DEATH-EFFECTOR DOMAIN. JRNL REF NATURE V. 392 941 1998 JRNL REFN ASTM NATUAS UK ISSN 0028-0836 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A1Z COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-16) REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 288 REMARK 210 PH : 4.0 REMARK 210 IONIC STRENGTH : 100 MM REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE MANUSCRIPT REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : SEE MANUSCRIPT REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DREAMWALKER-WOOHOO REMARK 210 METHOD USED : DISTANCE GEOMETRY/ SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 20 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : TOTAL ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LEU A 84 REMARK 465 GLU A 85 REMARK 465 HIS A 86 REMARK 465 HIS A 87 REMARK 465 HIS A 88 REMARK 465 HIS A 89 REMARK 465 HIS A 90 REMARK 465 HIS A 91 DBREF 1A1Z A 1 83 UNP Q13158 FADD_HUMAN 1 83 SEQADV 1A1Z GLY A 25 UNP Q13158 PHE 25 ENGINEERED SEQRES 1 A 91 MET ASP PRO PHE LEU VAL LEU LEU HIS SER VAL SER SER SEQRES 2 A 91 SER LEU SER SER SER GLU LEU THR GLU LEU LYS GLY LEU SEQRES 3 A 91 CYS LEU GLY ARG VAL GLY LYS ARG LYS LEU GLU ARG VAL SEQRES 4 A 91 GLN SER GLY LEU ASP LEU PHE SER MET LEU LEU GLU GLN SEQRES 5 A 91 ASN ASP LEU GLU PRO GLY HIS THR GLU LEU LEU ARG GLU SEQRES 6 A 91 LEU LEU ALA SER LEU ARG ARG HIS ASP LEU LEU ARG ARG SEQRES 7 A 91 VAL ASP ASP PHE GLU LEU GLU HIS HIS HIS HIS HIS HIS HELIX 1 1 PRO A 3 LEU A 28 1 26 HELIX 2 2 LYS A 33 ARG A 38 1 6 HELIX 3 3 GLY A 42 GLN A 52 1 11 HELIX 4 4 GLU A 61 LEU A 70 1 10 HELIX 5 5 HIS A 73 ASP A 81 1 9 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