Structure of PDB 3irh Chain B Binding Site BS03

Receptor Information
>3irh Chain B (length=445) Species: 226185 (Enterococcus faecalis V583) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTIPYKEQRLPIEKVFRDPVHNYIHVQHQVILDLINSAEVQRLRRIKQLG
TSSFTFHGAEHSRFSHSLGVYEITRRICEIFQRNYSVERLGENGWNDDER
LITLCAALLHDVGHGPYSHTFEHIFDTNHEAITVQIITSPETEVYQILNR
VSADFPEKVASVITKQYPNPQVVQMISSQIDADRMDYLLRDAYFTGTEYG
TFDLTRILRVIRPYKGGIAFAMNGMHAVEDYIVSRYQMYVQVYFHPVSRG
MEVILDHLLHRAKELFENPEFDYDLQASLLVPFFKGDFTLQEYLKLDDGV
LSTYFTQWMDVPDSILGDLAKRFLMRKPLKSATFTNEKESAATIAYLREL
IEKVGFNPKYYTAINSSYDLPRTQIELMQKDGSLVELATVSPLVAALAGQ
SQGDERFYFPKEMLDQGNKKHYDLFDETYREFSSYIHNGALVLKK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3irh Chain B Residue 457 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3irh Characterization of the deoxynucleotide triphosphate triphosphohydrolase (dNTPase) activity of the EF1143 protein from Enterococcus faecalis and crystal structure of the activator-substrate complex.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H66 H110 D111 D183
Binding residue
(residue number reindexed from 1)		H66 H110 D111 D183
Annotation score1
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3irh, PDBe:3irh, PDBj:3irh
PDBsum3irh
PubMed21757692
UniProtQ836G9

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