PDB entry 3hd3

View 3hd3 on RCSB PDB site
Description: High resolution crystal structure of cruzain bound to the vinyl sulfone inhibitor SMDC-256047
Class: hydrolase
Keywords: cysteine protease, Autocatalytic cleavage, Disulfide bond, Glycoprotein, Hydrolase, Protease, Thiol protease, Zymogen
Deposited on 2009-05-06, released 2009-10-06
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: 1.75 Å
R-factor: 0.145
AEROSPACI score: 0.57 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: cruzain
    Database cross-references and differences (RAF-indexed):
    • Uniprot P25779 (0-214)
      • engineered (48)
      • engineered (171)
    Domains in SCOPe 2.08: d3hd3a_
  • Chain 'B':
    Compound: Cruzipain
    Species: Trypanosoma cruzi [TaxId:5693]
    Gene: cruzain
    Database cross-references and differences (RAF-indexed):
    • Uniprot P25779 (0-End)
      • engineered (48)
      • engineered (171)
    Domains in SCOPe 2.08: d3hd3b_
  • Heterogens: 25B, EDO, EOH, PEG, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3hd3A (A:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlaeqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndgaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3hd3B (B:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlaeqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndgaavpywii
knswttqwgeegyiriakgsnqclvkeeassavvg

    Sequence, based on observed residues (ATOM records): (download) 
    >3hd3B (B:)
apaavdwrargavtavkdqgqcgscwafsaignvecqwflaghpltnlaeqmlvscdktd
sgcsgglmnnafewivqenngavytedsypyasgegisppcttsghtvgatitghvelpq
deaqiaawlavngpvavavdasswmtytggvmtscvseqldhgvllvgyndgaavpywii
knswttqwgeegyiriakgsnqclvkeeassavv