Structure of PDB 3s8k Chain A Binding Site BS01

Receptor Information
>3s8k Chain A (length=183) Species: 3649 (Carica papaya) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APKPIVDIDGKPVLYGVDYFVVSAIWGAGGGGLTVYGPGNKKKCPLSVVQ
DPFDNGEPIIFSAIKNVKDNIVRESVDLNVKFNITINCNETTAWKVDRFP
GVIGWTVTLGGEKGYHGFESTHSMFKIKKAGLPFSYKFHFCPSYPRTRLI
PCNNVDIFFDKYRIRRLILTNDAKEFVFIKTNR
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain3s8k Chain A Residue 186 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s8k The plasticity of the beta-Trefoil fold constitutes an evolutionary platform for protease inhibition
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D52 D55
Binding residue
(residue number reindexed from 1)		D51 D54
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004866 endopeptidase inhibitor activity
GO:0004867 serine-type endopeptidase inhibitor activity
Biological Process
GO:0010466 negative regulation of peptidase activity
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3s8k, PDBe:3s8k, PDBj:3s8k
PDBsum3s8k
PubMed22027836
UniProtP80691|LSPI_CARPA Latex serine proteinase inhibitor

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