Structure of PDB 1i74 Chain A Binding Site BS02

Receptor Information

>1i74 Chain A (length=309) Species: 1309 (Streptococcus mutans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SKILVFGHQNPDSDAIGSSMAYAYLKRQLGVDAQAVALGNPNEETAFVLD
YFGIQAPPVVKSAQAEGAKQVILTDHNEFQQSIADIREVEVVEVVDHHRV
ANFETANPLYMRLEPVGSASSIVYRLYKENGVAIPKEIAGVMLSGLISDT
LLLKSPTTHASDPAVAEDLAKIAGVDLQEYGLAMLKAGTNLASKTAAQLV
DIDAKTFELNGSQVRVAQVNTVDINEVLERQNEIEEAIKASQAANGYSDF
VLMITDILNSNSEILALGNNTDKVEAAFNFTLKNNHAFLAGAVSRKKQVV
PQLTESFNG

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mn+2]
CACTVS 3.341	[Mn++]

Formula

Name

MANGANESE (II) ION

PDB chain

1i74 Chain A Residue 402 [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	1i74 Crystal structure of Streptococcus mutans pyrophosphatase: a new fold for an old mechanism.
Resolution	2.2 Å
Binding residue (original residue number in PDB)	D14 D75 H97 D149
Binding residue (residue number reindexed from 1)	D14 D75 H97 D149
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:1i74, PDBe:1i74, PDBj:1i74
PDBsum	1i74
PubMed	11525166
UniProt	O68579\|PPAC_STRMU Probable manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)

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