Structure of PDB 3e1z Chain A Binding Site BS01

Receptor Information
>3e1z Chain A (length=109) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHKVTKAHNGATLTVAVGELVEIQLPSNPTTGFAWYFEGGTKESPNESMF
TVENKYFPPDSKLLGAGGTEHFHVTVKAAGTHAVNLTYMRPWTGPSHDSE
RFTVYLKAN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3e1z Chain A Residue 111 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e1z Crystal structure of the parasite inhibitor chagasin in complex with papain allows identification of structural requirements for broad reactivity and specificity determinants for target proteases.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		E23 H72 H74
Binding residue
(residue number reindexed from 1)		E22 H71 H73
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004869 cysteine-type endopeptidase inhibitor activity
GO:0005515 protein binding
Biological Process
GO:0010466 negative regulation of peptidase activity
Cellular Component
GO:0009986 cell surface
GO:0020016 ciliary pocket
GO:0031410 cytoplasmic vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3e1z, PDBe:3e1z, PDBj:3e1z
PDBsum3e1z
PubMed19143838
UniProtQ966X9|CHAG_TRYCR Chagasin (Gene Name=cha)

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