Structure of PDB 2b8j Chain A Binding Site BS01

Receptor Information

>2b8j Chain A (length=211) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SPSPLNPGTNVARLAEQAPIHWVSVAQIENSLAGRPPMAVGFDIDDTVLF
SSPGFWRGKKTFSPESEDYLKNPVFWEKMNNGWDEFSIPKEVARQLIDMH
VRRGDAIFFVTGRSPTKTETVSKTLADNFHIPATNMNPVIFAGDKPGQNT
KSQWLQDKNIRIFYGDSDNDITAARDVGARGIRILRASNSTYKPLPQAGA
FGEEVIVNSEY

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

2b8j Chain A Residue 311 [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	2b8j A structure-based proposal for the catalytic mechanism of the bacterial acid phosphatase AphA belonging to the DDDD superfamily of phosphohydrolases
Resolution	2.033 Å
Binding residue (original residue number in PDB)	D44 D46 D167
Binding residue (residue number reindexed from 1)	D43 D45 D166
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.3.2: acid phosphatase.

Gene Ontology

	Molecular Function
GO:0000287	magnesium ion binding
GO:0003993	acid phosphatase activity
GO:0016787	hydrolase activity
GO:0036424	L-phosphoserine phosphatase activity
GO:0042802	identical protein binding
GO:0046872	metal ion binding

	Cellular Component
GO:0030288	outer membrane-bounded periplasmic space
GO:0042597	periplasmic space

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Molecular Function

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Cellular Component

External links

PDB	RCSB:2b8j, PDBe:2b8j, PDBj:2b8j
PDBsum	2b8j
PubMed	16330049
UniProt	P0AE22\|APHA_ECOLI Class B acid phosphatase (Gene Name=aphA)

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