Structure of PDB 6qol Chain A Binding Site BS01

Receptor Information
>6qol Chain A (length=206) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKIDVVTIFPEYLQPVRQSDAGLVDVAVHDLRRWTHDVHKSVDDSPYGG
GPGMVMKPTVWGDALDEICTSETLLVVPTPAGYPFTQETAWQWSTEDHLV
IACGRYEGIDQRVADDAATRMRVREVSIGDYVLNGGEAAALVIIEAVLRL
VPGVLSLLEGPSYTRPPSWRGMDVPPVLLSGDHAKIAAWRAEQSRQRTIE
RRPDLL
Ligand information
Ligand IDJB5
InChIInChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2
InChIKeyMSGRFBKVMUKEGZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)nccn2
CACTVS 3.385Nc1ccc2nccnc2c1
FormulaC8 H7 N3
Namequinoxalin-6-amine
ChEMBLCHEMBL3353658
DrugBank
ZINCZINC000000158699
PDB chain6qol Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qol Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Resolution1.903 Å
Binding residue
(original residue number in PDB)		P83 T84 P85 Y111 L138 G140 G141
Binding residue
(residue number reindexed from 1)		P78 T79 P80 Y106 L133 G135 G136
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P85 E112 R154
Catalytic site (residue number reindexed from 1) P80 E107 R149
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:6qol, PDBe:6qol, PDBj:6qol
PDBsum6qol
PubMed32602532
UniProtB1MDI3

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