Structure of PDB 7d8i Chain A Binding Site BS03

Receptor Information
>7d8i Chain A (length=174) Species: 158879 (Staphylococcus aureus subsp. aureus N315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESD
GRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKY
IDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQW
IEQKKGPFAPDFIKVWKERYKKIR
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 chain7d8i Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7d8i The structural mechanism for the nucleoside tri- and diphosphate hydrolysis activity of Ntdp from Staphylococcus aureus.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		D108 D110 D123 E126
Binding residue
(residue number reindexed from 1)		D104 D106 D119 E122
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.1.6: nucleoside diphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0017110 nucleoside diphosphate phosphatase activity
GO:0017111 ribonucleoside triphosphate phosphatase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7d8i, PDBe:7d8i, PDBj:7d8i
PDBsum7d8i
PubMed33955674
UniProtQ7A4T2|NTDP_STAAN Nucleoside triphosphate/diphosphate phosphatase (Gene Name=SA1684)

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