Structure of PDB 2ii1 Chain D Binding Site BS02

Receptor Information
>2ii1 Chain D (length=297) Species: 86665 (Halalkalibacterium halodurans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRLSNENTIFFMDKENVPIASCQSGDTVIFETKDCFSDQITNEEQALTS
IDFNRVNPATGPLYVEGARRGDMLEIEILDIKVGKQGVMTAAPGLGALGE
SLNSPTTKLFPIEGDDVVYSTGLRLPLQPMIGVIGTAPPGEPINNGTPGP
HGGNLDTKDIKPGTTVYLPVEVDGALLALGDLHAAMGDGEILICGVEIAG
TVTLKVNVKKERMFPLPALKTDTHFMTIASAETLDAAAVQATKNMATFLA
NRTALSIEEAGMLLSGAGDLYVSQIVNPLKTARFSLALHYFEKLGVD
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 chain2ii1 Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ii1 Crystal Structure of Acetamidase (10172637) from Bacillus Halodurans at 1.95 A Resolution
Resolution1.95 Å
Binding residue
(original residue number in PDB)		C36 D181 H183 E197
Binding residue
(residue number reindexed from 1)		C36 D181 H183 E197
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2ii1, PDBe:2ii1, PDBj:2ii1
PDBsum2ii1
PubMed
UniProtQ9KGN3

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