Structure of PDB 6qok Chain B Binding Site BS01

Receptor Information
>6qok Chain B (length=216) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKIDVVTIFPEYLQPVRQSLPGKAIDAGLVDVAVHDLRRWTHDVHKSVD
DSPYGGGPGMVMKPTVWGDALDEICTSETLLVVPTPAGYPFTQETAWQWS
TEDHLVIACGRYEGIDQRVADDAATRMRVREVSIGDYVLNGGEAAALVII
EAVLRLVPGVLSLLEGPSYTRPPSWRGMDVPPVLLSGDHAKIAAWRAEQS
RQRTIERRPDLLGFDS
Ligand information
Ligand IDJ9T
InChIInChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3,(H2,8,9)
InChIKeySVWWNEYBEFASMP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)c1ccnc(N)c1
OpenEye OEToolkits 2.0.7COC(=O)c1ccnc(c1)N
FormulaC7 H8 N2 O2
Namemethyl 2-azanylpyridine-4-carboxylate
ChEMBL
DrugBank
ZINCZINC000019015190
PDB chain6qok Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qok Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		P83 T84 P85 S132 I133 G134 Y136 L138 G140
Binding residue
(residue number reindexed from 1)		P84 T85 P86 S133 I134 G135 Y137 L139 G141
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P85 E112 R154
Catalytic site (residue number reindexed from 1) P86 E113 R155
Enzyme Commision number 2.1.1.228: tRNA (guanine(37)-N(1))-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0052906 tRNA (guanine(37)-N1)-methyltransferase activity
Biological Process
GO:0002939 tRNA N1-guanine methylation
GO:0006400 tRNA modification
GO:0008033 tRNA processing
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:6qok, PDBe:6qok, PDBj:6qok
PDBsum6qok
PubMed32602532
UniProtB1MDI3

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