Structure of PDB 6qow Chain B Binding Site BS01

Receptor Information
>6qow Chain B (length=209) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKIDVVTIFPEYLQPVRQSGLVDVAVHDLRRWTHDVHKSVDDSPYGGGP
GMVMKPTVWGDALDEICTSETLLVVPTPAGYPFTQETAWQWSTEDHLVIA
CGRYEGIDQRVADDAATRMRVREVSIGDYVLNGGEAAALVIIEAVLRLVP
GVSLLEGPSYTRPPSWRGMDVPPVLLSGDHAKIAAWRAEQSRQRTIERRP
DLLGFDSPT
Ligand information
Ligand IDJBZ
InChIInChI=1S/C9H7NO3S/c1-13-5-2-3-6-7(4-5)14-8(10-6)9(11)12/h2-4H,1H3,(H,11,12)
InChIKeyJDKMYJZEGZZJOH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc2nc(sc2c1)C(O)=O
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)sc(n2)C(=O)O
FormulaC9 H7 N O3 S
Name6-methoxy-1,3-benzothiazole-2-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000000340142
PDB chain6qow Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qow Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		P83 T84 P85 G109 R110 S132 I133 L138 G140 G141
Binding residue
(residue number reindexed from 1)		P76 T77 P78 G102 R103 S125 I126 L131 G133 G134
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P85 E112 R154
Catalytic site (residue number reindexed from 1) P78 E105 R147
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:6qow, PDBe:6qow, PDBj:6qow
PDBsum6qow
PubMed32602532
UniProtB1MDI3

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