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4W5B

Crystal structure analysis of cruzain with Fragment 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide)

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
B0006508biological_processproteolysis
B0008234molecular_functioncysteine-type peptidase activity
C0006508biological_processproteolysis
C0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues10
Detailsbinding site for residue 3H5 A 301
ChainResidue
AGLN19
AHOH439
ACYS22
AGLY23
ASER25
AGLY65
AGLY66
AASP161
AHIS162
ATRP184

site_idAC2
Number of Residues10
Detailsbinding site for residue 3H5 B 301
ChainResidue
BGLN19
BCYS22
BGLY23
BSER25
BGLY65
BGLY66
BASP161
BHIS162
BGLY163
BTRP184

site_idAC3
Number of Residues11
Detailsbinding site for residue 3H5 C 301
ChainResidue
BGLN124
CGLY23
CSER25
CTRP26
CGLY66
CLEU67
CMET68
CALA138
CASP161
CGLY163
CHOH403

Functional Information from PROSITE/UniProt
site_idPS00639
Number of Residues11
DetailsTHIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. LDHGVLLVGYN
ChainResidueDetails
ALEU160-ASN170

site_idPS00640
Number of Residues20
DetailsTHIOL_PROTEASE_ASN Eukaryotic thiol (cysteine) proteases asparagine active site. YWIiKNSWttqWGeeGYIrI
ChainResidueDetails
ATYR177-ILE196

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues9
DetailsActive site: {}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues6
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

247536

PDB entries from 2026-01-14

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