PDB entry 3dek

View 3dek on RCSB PDB site
Description: Crystal Structures of Caspase-3 with Bound Isoquinoline-1,3,4-trione Derivative Inhibitors
Class: Hydrolase, Apoptosis
Keywords: Caspase-3, Isoquinoline-1, 3, 4-trione derivatives, Inactivation, protein-inhibitor complex, Apoptosis, Cytoplasm, Hydrolase, Phosphoprotein, Polymorphism, Protease, S-nitrosylation, Thiol protease, Zymogen
Deposited on 2008-06-10, released 2008-09-02
The last revision prior to the SCOPe 2.03 freeze date was dated 2009-02-24, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.212
AEROSPACI score: 0.32 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Caspase-3
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42574 (Start-248)
      • see remark 999 (161)
    Domains in SCOPe 2.03: d3deka_
  • Chain 'B':
    Compound: Caspase-3
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42574 (Start-248)
      • see remark 999 (161)
    Domains in SCOPe 2.03: d3dekb_
  • Chain 'C':
    Compound: Caspase-3
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42574 (Start-248)
      • see remark 999 (161)
    Domains in SCOPe 2.03: d3dekc_
  • Chain 'D':
    Compound: Caspase-3
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42574 (Start-248)
      • see remark 999 (161)
    Domains in SCOPe 2.03: d3dekd_
  • Heterogens: RXD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3dekA (A:)
sgisldnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnk
ndltreeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrc
rsltgkpklfiiqacrgteldcgietdsgvdddmachkipvdadflyaystapgyyswrn
skdgswfiqslcamlkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsm
ltkelyfyh

    Sequence, based on observed residues (ATOM records): (download) 
    >3dekA (A:)
dnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndltr
eeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsltg
kpklfiiqacrgteldcgietkipvdadflyaystapgyyswrnskdgswfiqslcamlk
qyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3dekB (B:)
sgisldnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnk
ndltreeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrc
rsltgkpklfiiqacrgteldcgietdsgvdddmachkipvdadflyaystapgyyswrn
skdgswfiqslcamlkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsm
ltkelyfyh

    Sequence, based on observed residues (ATOM records): (download) 
    >3dekB (B:)
dnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndltr
eeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsltg
kpklfiiqacrgteldcgietdhkipvdadflyaystapgyyswrnskdgswfiqslcam
lkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >3dekC (C:)
sgisldnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnk
ndltreeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrc
rsltgkpklfiiqacrgteldcgietdsgvdddmachkipvdadflyaystapgyyswrn
skdgswfiqslcamlkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsm
ltkelyfyh

    Sequence, based on observed residues (ATOM records): (download) 
    >3dekC (C:)
dnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndltr
eeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsltg
kpklfiiqacrgteldcgietdhkipvdadflyaystapgyyswrnskdgswfiqslcam
lkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >3dekD (D:)
sgisldnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnk
ndltreeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrc
rsltgkpklfiiqacrgteldcgietdsgvdddmachkipvdadflyaystapgyyswrn
skdgswfiqslcamlkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsm
ltkelyfyh

    Sequence, based on observed residues (ATOM records): (download) 
    >3dekD (D:)
dnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndltr
eeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsltg
kpklfiiqacrgteldcgiehkipvdadflyaystapgyyswrnskdgswfiqslcamlk
qyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh