PDB entry 4pi3

View 4pi3 on RCSB PDB site
Description: Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)
Class: hydrolase/hydrolase inhibitor
Keywords: cystein protease, cruzain, Chagas Disease, covalent inhibitor, vinyl sulfone derivative, analoge of WRR-483, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2014-05-08, released 2014-11-12
The last revision prior to the SCOPe 2.08 freeze date was dated 2016-02-10, with a file datestamp of 2016-02-05.
Experiment type: XRAY
Resolution: 1.27 Å
R-factor: N/A
AEROSPACI score: 0.6 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4pi3a_
  • Chain 'B':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4pi3b_
  • Heterogens: 2V5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4pi3A (A:)
gapaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdkt
dsgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelp
qdeaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywi
iknswttqwgeegyiriakgsnqclvkeeassavvg

    Sequence, based on observed residues (ATOM records): (download) 
    >4pi3A (A:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4pi3B (B:)
gapaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdkt
dsgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelp
qdeaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywi
iknswttqwgeegyiriakgsnqclvkeeassavvg

    Sequence, based on observed residues (ATOM records): (download) 
    >4pi3B (B:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg