Structure of PDB 5xds Chain A Binding Site BS02

Receptor Information

>5xds Chain A (length=191) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SRRARIERRTRESDIVIELDLDGTGQVAVDTGVPFYDHMLTALGSHASFD
LTVRATGDVEIEAHHTIEDTAIALGTALGQALGDKRGIRRFGDAFIPMDE
TLAHAAVDLSGRPYCVHTGEPDHLQHTTIAGSSVPYHTVINRHVFESLAA
NARIALHVRVLYGRDPHHITEAQYKAVARALRQAVEPDPRV

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

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

Formula

Name

MANGANESE (II) ION

PDB chain

5xds Chain A Residue 302 [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	5xds Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase.
Resolution	1.75 Å
Binding residue (original residue number in PDB)	H47 H176 E180
Binding residue (residue number reindexed from 1)	H38 H167 E171
Annotation score	1

Enzymatic activity

Enzyme Commision number

4.2.1.19: imidazoleglycerol-phosphate dehydratase.

Gene Ontology

	Molecular Function
GO:0004424	imidazoleglycerol-phosphate dehydratase activity
GO:0016829	lyase activity
GO:0046872	metal ion binding

	Biological Process
GO:0000105	L-histidine biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

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Cellular Component

External links

PDB	RCSB:5xds, PDBe:5xds, PDBj:5xds
PDBsum	5xds
PubMed	34288118
UniProt	P9WML9\|HIS7_MYCTU Imidazoleglycerol-phosphate dehydratase (Gene Name=hisB)

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