PDB entry 3deh

View 3deh 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, Cytoplasm, Hydrolase, Apoptosis, Phosphoprotein, Polymorphism, Protease, S-nitrosylation, Thiol protease, Zymogen
Deposited on 2008-06-10, released 2008-09-02
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-10-25, with a file datestamp of 2017-10-20.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: N/A
AEROSPACI score: 0.2 (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 2.08: d3deha_
  • 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 2.08: d3dehb_
  • 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 2.08: d3dehc_
  • 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 2.08: d3dehd_
  • Heterogens: RXA, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3dehD (D:)
dnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndltr
eeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsltg
kpklfiiqacrgteldcgihkipvdadflyaystapgyyswrnskswfiqslcamlkqya
dklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfy