Structure of PDB 7nmk Chain A Binding Site BS02

Receptor Information
>7nmk Chain A (length=216) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESLDLEFESAYRGEVRPPWSIGEPQPELAALIVQGKFRGDVLDVGCGEAA
ISLALAERGHTTVGLDLSPAAVELARHEAAKRGLANASFEVADASSFTGY
DGRFDTIVDSTLFHSMPVESREGYLQSIVRAAAPGASYFVLVFDRAAIPE
GPINAVTEDELRAAVSKYWIIDEIKPARLYARFPAGFAGMPALLDIREEP
NGLQSIGGWLLSAHLG
Ligand information
Ligand IDUJH
InChIInChI=1S/C10H9NO2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H3
InChIKeyQKCKRWUYZIGMET-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CON1C=CC(=O)c2c1cccc2
CACTVS 3.385CON1C=CC(=O)c2ccccc12
FormulaC10 H9 N O2
Name1-methoxy-4-oxoquinoline;
1-methoxyquinolin-4-one
ChEMBL
DrugBank
ZINC
PDB chain7nmk 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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PDB7nmk Structural basis of O-methylation of (2-heptyl-)1-hydroxyquinolin-4(1H)-one and related compounds by the heterocyclic toxin methyltransferase Rv0560c of Mycobacterium tuberculosis.
Resolution1.204 Å
Binding residue
(original residue number in PDB)		F11 P29 W30 F154 I164 F194
Binding residue
(residue number reindexed from 1)		F7 P18 W19 F143 I153 F183
Annotation score2
Enzymatic activity
Enzyme Commision number 2.1.1.374: 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0001666 response to hypoxia
GO:0009751 response to salicylic acid
GO:0010106 cellular response to iron ion starvation
GO:0032259 methylation
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:7nmk, PDBe:7nmk, PDBj:7nmk
PDBsum7nmk
PubMed34506908
UniProtP9WKL5|HTM_MYCTU 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase (Gene Name=htm)

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