Structure of PDB 5wk0 Chain A Binding Site BS01

Receptor Information
>5wk0 Chain A (length=156) Species: 1739323 (Staphylococcus sp. HMSC055H04) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTTKTVFDVIDMGLGYLVNVYDAWKVEKVLDDYHKPFSNTIHWQFGHVLT
IFESALAVAGKENIDLNIYRPLFGNGSSPDEWKDEVPSIERILEGLQTLP
ERARNLTEDDLAIELKQPIVGCNNLEELLVLNAIHIPLHAGKIEEMSRIL
KNLKAL
Ligand information
Ligand IDNI
InChIInChI=1S/Ni/q+2
InChIKeyVEQPNABPJHWNSG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ni++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ni+2]
FormulaNi
NameNICKEL (II) ION
ChEMBL
DrugBankDB14204
ZINC
PDB chain5wk0 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5wk0 Structure and function of the bacillithiol-S-transferase BstA from Staphylococcus aureus.
Resolution1.335 Å
Binding residue
(original residue number in PDB)		H47 H135 H139
Binding residue
(residue number reindexed from 1)		H47 H135 H139
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity

View graph for
Molecular Function
External links
PDB RCSB:5wk0, PDBe:5wk0, PDBj:5wk0
PDBsum5wk0
PubMed29417696
UniProtA0A2C9TMM3

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