Structure of PDB 1nrw Chain A Binding Site BS01

Receptor Information
>1nrw Chain A (length=285) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLIAIDLDGTLLNSKHQVSLENENALRQAQRDGIEVVVSTGRAHFDVMS
IFEPLGIKTWVISANGAVIHDPEGRLYHHETIDKKRAYDILSWLESENYY
YEVFTGSAIYTPQNGRELLDVELDRFRSANPEADLSVLKQAAEVQYSQSG
FAYINSFQELFEADEPIDFYNILGFSFFKEKLEAGWKRYEHAEDLTLVSS
AEHNFELSSRKASKGQALKRLAKQLNIPLEETAAVGDSLNDKSMLEAAGK
GVAMGNAREDIKSIADAVTLTNDEHGVAHMMKHLL
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 chain1nrw Chain A Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nrw The structure of a HALOACID DEHALOGENASE-LIKE HYDROLASE FROM B. SUBTILIS
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D7 D9 D237 S238
Binding residue
(residue number reindexed from 1)		D7 D9 D237 S238
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.3.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1nrw, PDBe:1nrw, PDBj:1nrw
PDBsum1nrw
PubMed
UniProtP94592|YWPJ_BACSU Phosphatase YwpJ (Gene Name=ywpJ)

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