Structure of PDB 2h6t Chain A Binding Site BS02

Receptor Information
>2h6t Chain A (length=340) Species: 5476 (Candida albicans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QTVPVKLINEQVSYASDITVGSNKQKLTVVIDTGSSDLWVPDSQVSCQAG
QGQDPNFCKNEGTYSPSSSSSSQNLNSPFSIEYGDGTTSQGTWYKDTIGF
GGISITKQQFADVTSTSVDQGILGIGYKTHEAEGNYDNVPVTLKNQGIIS
KNAYSLYLNSRQATSGQIIFGGVDNAKYSGTLIALPVTSDNELRIHLNTV
KVAGQSINADVDVLLDSGTTITYLQQGVADQVISAFNGQETYDANGNLFY
LVDCNLSGSVDFAFDKNAKISVPASEFTAPLYTEDGQVYDQCQLLFGTSD
YNILGDNFLRSAYIVYDLDDNEISLAQVKYTTASNIAALT
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 chain2h6t Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h6t The crystal structure of the secreted aspartic proteinase 3 from Candida albicans and its complex with pepstatin A.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H197 D214
Binding residue
(residue number reindexed from 1)		H196 D212
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D32 S35 D37 W39 Y84 D218 T221
Catalytic site (residue number reindexed from 1) D32 S35 D37 W39 Y83 D216 T219
Enzyme Commision number 3.4.23.24: candidapepsin.
Gene Ontology
Molecular Function
GO:0004190 aspartic-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2h6t, PDBe:2h6t, PDBj:2h6t
PDBsum2h6t
PubMed17510964
UniProtP0CY29|CARP3_CANAL Secreted aspartic protease 3 (Gene Name=SAP3)

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