Structure of PDB 6nvy Chain A Binding Site BS01

Receptor Information
>6nvy Chain A (length=191) Species: 1221996 (Bacillus thermotolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDVTVIRDQYGVPHLYAKNKQDLYKAYGYVMAKDRLFQLEMFRRGNEGTV
SEVFGEEYLAKDEQSRRDGYSDEEIKEMLNDLEDKPRAYIQQFAEGISLY
VQEALKNPDEKLSKEFHDYKFLPRKWDATDVVRLYLVSMTYFMDNHQELT
NAEILAKLEQTYGEEQAEKMFDDLVWKNDPEAPASIQAEDE
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 chain6nvy Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6nvy Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Resolution2.27 Å
Binding residue
(original residue number in PDB)		E53 D136
Binding residue
(residue number reindexed from 1)		E47 D130
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6nvy, PDBe:6nvy, PDBj:6nvy
PDBsum6nvy
PubMed31227867
UniProtA0A0F5I5V4

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