Structure of PDB 6qoa Chain A Binding Site BS01

Receptor Information
>6qoa Chain A (length=211) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKIDVVTIFPEYLQPVRQSLPGKAIDAGLVDVAVHDLRRWTHDVHKSVD
DSPYGGGPGMVMKPTVWGDALDEICTSETLLVVPTPAGYPFTQETAWQWS
TEDHLVIACGRYEGIDQRVADDAATRMRVREVSIGDYVLNGGEAAALVII
EAVLRLVPGSLLEGPSYTRPPSWRGMDVPPVLLSGDHAKIAAWRAEQSRQ
RTIERRPDLLG
Ligand information
Ligand IDJBN
InChIInChI=1S/C4H4N2O2/c5-4(7)3-1-2-6-8-3/h1-2H,(H2,5,7)
InChIKeyDSIBSRXKQRYPJP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnoc1C(=O)N
CACTVS 3.385NC(=O)c1oncc1
FormulaC4 H4 N2 O2
Name1,2-oxazole-5-carboxamide
ChEMBL
DrugBank
ZINCZINC000002565041
PDB chain6qoa 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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PDB6qoa Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		T84 P85 S132 I133 L138 G140
Binding residue
(residue number reindexed from 1)		T85 P86 S133 I134 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:6qoa, PDBe:6qoa, PDBj:6qoa
PDBsum6qoa
PubMed32602532
UniProtB1MDI3

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