PDB entry 3dei

View 3dei 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: 2.8 Å
R-factor: 0.215
AEROSPACI score: 0.25 (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: d3deia_
  • 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: d3deib_
  • 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: d3deic_
  • Chain 'D':
    Compound: Caspase-3
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42574
      • see remark 999 (161)
    Domains in SCOPe 2.03: d3deid_
  • Heterogens: RXB, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3deiA (A:)
dnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndltr
eeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsltg
kpklfiiqacrgteldcgiekipvdadflyaystapgyyswrnskdgswfiqslcamlkq
yadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3deiB (B:)
ldnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndlt
reeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrslt
gkpklfiiqacrgteldcgiekipvdadflyaystapgyyswrnskdgswfiqslcamlk
qyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3deiC (C:)
ldnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndlt
reeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrslt
gkpklfiiqacrgteldcgiehkipvdadflyaystapgyyswrnskdgswfiqslcaml
kqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3deiD (D:)
sldnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndl
treeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsl
tgkpklfiiqacrgteldcgiehkipvdadflyaystapgyyswrnskdgswfiqslcam
lkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfy