Structure of PDB 8qvo Chain A Binding Site BS03

Receptor Information
>8qvo Chain A (length=323) Species: 2026 (Thermoactinomyces vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKIS
DNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLV
NNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYG
YKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTL
ITFHTYSELIQYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQ
ASDNYITDGDMGDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSR
NKEAVLYVAEKADCPYSVIGKSC
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 chain8qvo Chain A Residue 406 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qvo L211Q, L254N, T262G mutant of carboxypeptidase T from Thermoactinomyces vulgaris
Resolution1.96 Å
Binding residue
(original residue number in PDB)		S50 D51 E57 E59
Binding residue
(residue number reindexed from 1)		S50 D51 E57 E59
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.17.18: carboxypeptidase T.
Gene Ontology
Molecular Function
GO:0004181 metallocarboxypeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:8qvo, PDBe:8qvo, PDBj:8qvo
PDBsum8qvo
PubMed
UniProtP29068|CBPT_THEVU Carboxypeptidase T (Gene Name=cpt)

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