Structure of PDB 2haw Chain A Binding Site BS04

Receptor Information

>2haw Chain A (length=307) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EKILIFGHQNPDTDTICSAIAYADLKNKLGFNAEPVRLGQVNGETQYALD
YFKQESPRLVETAANEVNGVILVDHNERQQSIKDIEEVQVLEVIDHHRIA
NFETAEPLYYRAEPVGCTATILNKMYKENNVKIEKEIAGLMLSAIISDSL
LFKSPTCTDQDVAAAKELAEIAGVDAEEYGLNMLKAGADLSKKTVEELIS
LDAKEFTLGSKKVEIAQVNTVDIEDVKKRQAELEAVISKVVAEKNLDLFL
LVITDILENDSLALAIGNEAAKVEKAFNVTLENNTALLKGVVSRKKQVVP
VLTDAMA

Ligand information

Ligand ID

InChI

InChI=1S/FH/h1H/p-1

InChIKey

KRHYYFGTRYWZRS-UHFFFAOYSA-M

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[F-]

Formula

Name

FLUORIDE ION

PDB chain

2haw Chain A Residue 3001 [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)	D13 D15 D75 D149
Binding residue (residue number reindexed from 1)	D12 D14 D74 D148
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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