PDB entry 4jr0

View 4jr0 on RCSB PDB site
Description: Human procaspase-3 bound to Ac-DEVD-CMK
Class: apoptosis, hydrolase/hydrolase inhibitor
Keywords: protease, proenzyme, protein-peptide complex, irreversible inhibitor, activity based probe, caspase, APOPTOSIS, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-03-20, released 2013-05-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-11-15, with a file datestamp of 2017-11-10.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: N/A
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Procaspase-3
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP3, CPP32
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42574 (3-246)
      • expression tag (2)
    Domains in SCOPe 2.08: d4jr0a1, d4jr0a2
  • Chain 'B':
    Compound: Procaspase-3
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP3, CPP32
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42574 (3-246)
      • expression tag (1-2)
    Domains in SCOPe 2.08: d4jr0b1, d4jr0b2
  • Chain 'C':
    Compound: Ac-DEVD-CMK
    Database cross-references and differences (RAF-indexed):
    • PDB 4JR0 (Start-4)
  • Chain 'D':
    Compound: Ac-DEVD-CMK
    Database cross-references and differences (RAF-indexed):
    • PDB 4JR0 (Start-4)
  • Heterogens: CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4jr0A (A:)
snadnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnknd
ltreeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrs
ltgkpklfiiqacrgteldcgietasgvdddmachkipveadflyaystapgyyswrnsk
dgswfiqslcamlkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmlt
kelyfyh

    Sequence, based on observed residues (ATOM records): (download) 
    >4jr0A (A:)
adnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndlt
reeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrslt
gkpklfiiqacrgtkipveadflyaystapgyyswrnskdgswfiqslcamlkqyadkle
fmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4jr0B (B:)
snadnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnknd
ltreeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrs
ltgkpklfiiqacrgteldcgietasgvdddmachkipveadflyaystapgyyswrnsk
dgswfiqslcamlkqyadklefmhiltrvnrkvatefesfsfdatfhakkqipcivsmlt
kelyfyh

    Sequence, based on observed residues (ATOM records): (download) 
    >4jr0B (B:)
nadnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndl
treeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsl
tgkpklfiiqacrgtipveadflyaystapgyyswrnskdgswfiqslcamlkqyadkle
fmhiltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

  • Chain 'C':
    No sequence available.

  • Chain 'D':
    No sequence available.