Structure of PDB 2haw Chain B Binding Site BS01

Receptor Information

>2haw Chain B (length=308) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MEKILIFGHQNPDTDTICSAIAYADLKNKLGFNAEPVRLGQVNGETQYAL
DYFKQESPRLVETAANEVNGVILVDHNERQQSIKDIEEVQVLEVIDHHRI
ANFETAEPLYYRAEPVGCTATILNKMYKENNVKIEKEIAGLMLSAIISDS
LLFKSPTCTDQDVAAAKELAEIAGVDAEEYGLNMLKAGADLSKKTVEELI
SLDAKEFTLGSKKVEIAQVNTVDIEDVKKRQAELEAVISKVVAEKNLDLF
LLVITDILENDSLALAIGNEAAKVEKAFNVTLENNTALLKGVVSRKKQVV
PVLTDAMA

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

2haw Chain B Residue 1005 [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	2haw A trimetal site and substrate distortion in a family II inorganic pyrophosphatase
Resolution	1.75 Å
Binding residue (original residue number in PDB)	H9 D13 D75
Binding residue (residue number reindexed from 1)	H9 D13 D75
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.6.1.1: inorganic diphosphatase.

Gene Ontology

	Molecular Function
GO:0004427	inorganic diphosphate phosphatase activity
GO:0016462	pyrophosphatase activity
GO:0016787	hydrolase activity
GO:0030145	manganese ion binding
GO:0046872	metal ion binding

	Cellular Component
GO:0005737	cytoplasm

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Molecular Function

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Cellular Component

External links

PDB	RCSB:2haw, PDBe:2haw, PDBj:2haw
PDBsum	2haw
PubMed	17095506
UniProt	P37487\|PPAC_BACSU Manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)

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