PDB entry 4xui

View 4xui on RCSB PDB site
Description: Crystal structure analysis of cruzain bound to the no-covalent analog of WRR-483 (WRR-669)
Class: hydrolase/hydrolase inhibitor
Keywords: Cruzain, cysteine protease, covalent reversible inhibitor, Chagas Disease, Trypanosoma cruzi, vinyl sulfone analog, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2015-01-26, released 2015-03-11
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: 2.51 Å
R-factor: N/A
AEROSPACI score: 0.19 (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: d4xuia_
  • Chain 'B':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4xuib_
  • Chain 'C':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4xuic_
  • Heterogens: 2VC, EDO, HOH

PDB Chain Sequences:

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

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

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

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

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

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