PDB entry 4klb

View 4klb on RCSB PDB site
Description: Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176
Class: hydrolase/hydrolase inhibitor
Keywords: Hydrolase, Protease, Thiol protease, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2013-05-07, released 2013-09-18
The last revision prior to the SCOPe 2.05 freeze date was dated 2013-09-18, with a file datestamp of 2013-09-13.
Experiment type: XRAY
Resolution: 2.62 Å
R-factor: 0.192
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: Cruzipain, GenBank M84342.1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4klba_
  • Chain 'B':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: Cruzipain, GenBank M84342.1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4klbb_
  • Chain 'C':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: Cruzipain, GenBank M84342.1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4klbc_
  • Chain 'D':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: Cruzipain, GenBank M84342.1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4klbd_
  • Chain 'E':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: Cruzipain, GenBank M84342.1
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4klbe_
  • Heterogens: 1RV, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4klbA (A:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4klbB (B:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg

  • Chain 'C':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4klbC (C:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg

  • Chain 'D':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4klbD (D:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >4klbE (E:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlseqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndsaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg