Structure of PDB 3irh Chain D Binding Site BS03

Receptor Information

>3irh Chain D (length=434) Species: 226185 (Enterococcus faecalis V583) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TIPYKEQRLPIEKVFRDPVHNYIHVQHQVILDLINSAEVQRLRRIKQLGT
SSFTFHGAEHSRFSHSLGVYEITRRICEIFQRNYSVERLGENGWNDDERL
ITLCAALLHDVGHGPYSHTFEHIFDTNHEAITVQIITSPETEVYQILNRV
SADFPEKVASVITKQYPNPQVVQMISSQIDADRMDYLLRDAYFTGTEYGT
FDLTRILRVIRPYKGGIAFAMNGMHAVEDYIVSRYQMYVQVYFHPVSRGM
EVILDHLLHRAKELFENPEFDYDLQASLLVPFFKGDFTLQEYLKLDDGVL
STYFTQWMDVPDSILGDLAKRFLMRKPLKSATFTNEKESAATIAYLRELI
EKVGFNPKYYTAINSSYDTQIELMQKDGSLVELATVSPLVAALAGQSQGD
ERFYFPKEMLDDLFDETYREFSSYIHNGALVLKK

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

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

Formula

Name

CALCIUM ION

PDB chain

3irh Chain D Residue 457 [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	3irh Characterization of the deoxynucleotide triphosphate triphosphohydrolase (dNTPase) activity of the EF1143 protein from Enterococcus faecalis and crystal structure of the activator-substrate complex.
Resolution	2.4 Å
Binding residue (original residue number in PDB)	H66 H110 D111 D183
Binding residue (residue number reindexed from 1)	H65 H109 D110 D182
Annotation score	1

Enzymatic activity

Enzyme Commision number

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0008832	dGTPase activity
GO:0046872	metal ion binding

	Biological Process
GO:0006203	dGTP catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:3irh, PDBe:3irh, PDBj:3irh
PDBsum	3irh
PubMed	21757692
UniProt	Q836G9

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