Structure of PDB 2rbk Chain A Binding Site BS01

Receptor Information

>2rbk Chain A (length=261) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTKALFFDIDGTLVSFETHRIPSSTIEALEAAHAKGLKIFIATGRPKAII
NNLSELQDRNLIDGYITMNGAYCFVGEEVIYKSAIPQEEVKAMAAFCEKK
GVPCIFVEEHNISVCQPNEMVKKIFYDFLHVNVIPTVSFEEASNKEVIQM
TPFITEEEEKEVLPSIPTCEIGRWYPAFADVTAKGDTKQKGIDEIIRHFG
IKLEETMSFGDGGNDISMLRHAAIGVAMGQAKEDVKAAADYVTAPIDEDG
ISKAMKHFGII

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

2rbk Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2rbk The catalytic scaffold of the haloalkanoic acid dehalogenase enzyme superfamily acts as a mold for the trigonal bipyramidal transition state.
Resolution	1.0 Å
Binding residue (original residue number in PDB)	D8 D10 D211
Binding residue (residue number reindexed from 1)	D8 D10 D211
Annotation score	4

Enzymatic activity

Enzyme Commision number

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

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Molecular Function

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Cellular Component

External links

PDB	RCSB:2rbk, PDBe:2rbk, PDBj:2rbk
PDBsum	2rbk
PubMed	18398008
UniProt	Q8A090

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