Structure of PDB 2heg Chain B Binding Site BS01

Receptor Information

>2heg Chain B (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

2heg Chain B Residue 300 [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	2heg A Structure-Based Proposal for the Catalytic Mechanism of Bacterial Acid Phosphatase Apha Belonging to the Dddd Superfamily of Phosphohydrolases
Resolution	1.5 Å
Binding residue (original residue number in PDB)	X44 D46 D167
Binding residue (residue number reindexed from 1)	X43 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:2heg, PDBe:2heg, PDBj:2heg
PDBsum	2heg
PubMed
UniProt	P0AE22\|APHA_ECOLI Class B acid phosphatase (Gene Name=aphA)

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