Structure of PDB 2iw4 Chain A Binding Site BS01

Receptor Information

>2iw4 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
YFKQESPRLVETAANEVNGVILVDHNERQQSIKDIEEVQVLEVIDHQRIA
NFETAEPLYYRAEPVGCTATILNKMYKENNVKIEKEIAGLMLSAIISDSL
LFKSPTCTDQDVAAAKELAEIAGVDAEEYGLNMLKAGADLSKKTVEELIS
LDAKEFTLGSKKVEIAQVNTVDIEDVKKRQAELEAVISKVVAEKNLDLFL
LVITDILENDSLALAIGNEAAKVEKAFNVTLENNTALLKGVVSRKKQVVP
VLTDAMA

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

2iw4 Chain A Residue 1309 [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	2iw4 A Trimetal Site and Substrate Distortion in a Family II Inorganic Pyrophosphatase.
Resolution	2.15 Å
Binding residue (original residue number in PDB)	H9 D13 D75
Binding residue (residue number reindexed from 1)	H8 D12 D74
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:2iw4, PDBe:2iw4, PDBj:2iw4
PDBsum	2iw4
PubMed	17095506
UniProt	P37487\|PPAC_BACSU Manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)

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