Structure of PDB 4rpa Chain B Binding Site BS01

Receptor Information

>4rpa Chain B (length=308) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AKTYIFGHKNPDTDAISSAIIMAEFEQLRGNSGAKAYRLGDVSAETQFAL
DTFNVPAPELLTDDLDGQDVILVDHNEFQQSSDTIASATIKHVIDHHRIA
NFETAGPLCYRAEPVGCTATILYKMFRERGFEIKPEIAGLMLSAIISDSL
LFKSPTCTQQDVKAAEELKDIAKVDIQKYGLDMLKAGASTTDKSVEFLLN
MDAKSFTMGDYVTRIAQVNAVDLDEVLNRKEDLEKEMLAVSAQEKYDLFV
LVVTDIINSDSKILVVGAEKDKVGEAFNVQLEDDMAFLSGVVSRKKQIVP
QITEALTK

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

4rpa Chain B Residue 500 [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	4rpa Structure of inorganic pyrophosphatase from Staphylococcus aureus reveals conformational flexibility of the active site.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	D15 D75 H97 D149
Binding residue (residue number reindexed from 1)	D14 D74 H96 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:4rpa, PDBe:4rpa, PDBj:4rpa
PDBsum	4rpa
PubMed	25576794
UniProt	P65752\|PPAC_STAAM Probable manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)

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