PDB entry 1re1

View 1re1 on RCSB PDB site
Description: crystal structure of caspase-3 with a nicotinic acid aldehyde inhibitor
Class: hydrolase
Keywords: cysteine protease, caspase-3, apopain, cpp32, yama, complex (protease-inhibitor), hydrolase
Deposited on 2003-11-06, released 2004-05-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.5 Å
R-factor: 0.194
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Caspase-3
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP3, CPP32
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d1re1.1
  • Chain 'B':
    Compound: Caspase-3
    Species: Homo sapiens [TaxId:9606]
    Gene: CASP3, CPP32
    Database cross-references and differences (RAF-indexed):
    • Uniprot P42574
      • isoform beta (14)
    Domains in SCOPe 2.08: d1re1.1
  • Heterogens: NA3, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >1re1A (A:)
sgisldnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnk
ndltreeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrc
rsltgkpklfiiqacrgteldcgietd

    Sequence, based on observed residues (ATOM records): (download) 
    >1re1A (A:)
dnsykmdypemglciiinnknfhkstgmtsrsgtdvdaanlretfrnlkyevrnkndltr
eeivelmrdvskedhskrssfvcvllshgeegiifgtngpvdlkkitnffrgdrcrsltg
kpklfiiqacrgteldcgie

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >1re1B (B:)
sgvdddmachkipveadflyaystapgyyswrnskdgswfiqslcamlkqyadklefmhi
ltrvnrkvatefesfsfdatfhakkqipcivsmltkelyfyh

    Sequence, based on observed residues (ATOM records): (download) 
    >1re1B (B:)
kipveadflyaystapgyyswrnskdgswfiqslcamlkqyadklefmhiltrvnrkvat
efesfsfdatfhakkqipcivsmltkelyfy