Structure of PDB 2enx Chain A Binding Site BS03

Receptor Information
>2enx Chain A (length=310) Species: 205921 (Streptococcus agalactiae A909) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKILVFGHQNPDSDAIGSSVAFAYLAKEAWGLDTEAVALGTPNEETAYVL
DYFGVQAPRVVESAKAEGVETVILTDHNEFQQSISDIKDVTVYGVVDHHR
VANFETANPLYMRLEPVGSASSIVYRMFKENGVSVPKELAGLLLSGLISD
TLLLKSPTTHASDIPVAKELAELAGVNLEEYGLEMLKAGTNLSSKTAAEL
IDIDAKTFELNGEAVRVAQVNTVDINDILARQEEIEVAIQEAIVTEGYSD
FVLMITDIVNSNSEILALGSNMAKVEAAFEFTLENNHAFLAGAVSRKKQV
VPQLTESYNA
Ligand information
Ligand ID2PN
InChIInChI=1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)
InChIKeyGNGSOPFGGKKDQP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[P](O)(=O)N[P](O)(O)=O
OpenEye OEToolkits 1.5.0N(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)NP(=O)(O)O
FormulaH5 N O6 P2
NameIMIDODIPHOSPHORIC ACID
ChEMBLCHEMBL265450
DrugBank
ZINCZINC000263621374
PDB chain2enx Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2enx Structure of the Streptococcus agalactiae family II inorganic pyrophosphatase at 2.80 A resolution
Resolution2.8 Å
Binding residue
(original residue number in PDB)		H99 H100 D151 K207 R297 K298
Binding residue
(residue number reindexed from 1)		H98 H99 D150 K206 R296 K297
Annotation score1
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:2enx, PDBe:2enx, PDBj:2enx
PDBsum2enx
PubMed17505113
UniProtQ3K0B5|PPAC_STRA1 Probable manganese-dependent inorganic pyrophosphatase (Gene Name=ppaC)

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