Structure of PDB 8coy Chain A Binding Site BS04

Receptor Information
>8coy Chain A (length=332) Species: 5855 (Plasmodium vivax) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YKFNDEYRNLQWGLDLARLDETQDLINANRVSVTKICVIDSGIDYNHPDL
RNNIDVNVKELHGRKGVDDDSNGVVDDVYGANFVSNSGDPMDDNYHGTHV
SGIISAVGNNGIGIVGVDGHSKLVICKALDQHKLGRLGDMFKCIDYCISR
QAHMISGSFSFDEYSNIFSASVEHLRSLGILFFVSASNCAAKCDLAVNHR
YPPILSKTHNNVIAVANLKRDLDESYSLSVNSFYSNIYCQLAAPGTNIYS
TTPMNNYRKLNGTSMASPHVAAIASIVRSINPNLTYLQIVEILRNAIVKL
PSLTERVSWGGYVDILRAVNLAIDSKAAPYIK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8coy Chain A Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8coy 3D structures of the Plasmodium vivax subtilisin-like drug target SUB1 reveal conformational changes to accommodate a substrate-derived alpha-ketoamide inhibitor.
Resolution1.507 Å
Binding residue
(original residue number in PDB)		E336 R340 V343 D345 D352
Binding residue
(residue number reindexed from 1)		E60 R64 V67 D69 D76
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.62: subtilisin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8coy, PDBe:8coy, PDBj:8coy
PDBsum8coy
PubMed37428845
UniProtE6Y8B9

[Back to BioLiP]