Structure of PDB 7ddv Chain A Binding Site BS02

Receptor Information
>7ddv Chain A (length=190) 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
NARIALHVRVLYGRDPHHITEAQYKAVARALRQAVEPDPR
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 chain7ddv 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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PDB7ddv Crystal structure of M.tuberculosis imidazole glycerol phosphate dehydratase in complex with an inhibitor
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H47 H176 E180
Binding residue
(residue number reindexed from 1)		H38 H167 E171
Annotation score1
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ddv, PDBe:7ddv, PDBj:7ddv
PDBsum7ddv
PubMed
UniProtP9WML9|HIS7_MYCTU Imidazoleglycerol-phosphate dehydratase (Gene Name=hisB)

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