Structure of PDB 3tr4 Chain D Binding Site BS01

Receptor Information
>3tr4 Chain D (length=168) Species: 227377 (Coxiella burnetii RSA 493) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSAGKGIDDFNVIIEIPANGGEVKYEYDKELGFLTVDRFMPTSMRYPCNY
GFVPSTLAQDGDPLDVLVLTPVPVQPGVLMRVRALGIMKMEDEAGEDSKV
LAVPVVKACRAYEAIQSLKDISSLLLDAISHFFERYKDLEPNKWAKVKGW
EDKEAAKKEFEASIVRFK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3tr4 Chain D Residue 176 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tr4 Structural genomics for drug design against the pathogen Coxiella burnetii.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D64 D69 D101
Binding residue
(residue number reindexed from 1)		D60 D65 D97
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004427 inorganic diphosphate phosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006796 phosphate-containing compound metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3tr4, PDBe:3tr4, PDBj:3tr4
PDBsum3tr4
PubMed26033498
UniProtQ83DR7

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