Structure of PDB 6qoq Chain B Binding Site BS01

Receptor Information
>6qoq Chain B (length=214) 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
RTIERRPDLLGFDS
Ligand information
Ligand IDJAE
InChIInChI=1S/C7H6N2S/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
InChIKeyFAYAYUOZWYJNBD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)scn2
CACTVS 3.385Nc1ccc2ncsc2c1
FormulaC7 H6 N2 S
Name1,3-benzothiazol-6-amine
ChEMBL
DrugBank
ZINCZINC000000332484
PDB chain6qoq 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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PDB6qoq Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		P83 T84 P85 Y111 L138 G140 G141
Binding residue
(residue number reindexed from 1)		P84 T85 P86 Y112 L139 G141 G142
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:6qoq, PDBe:6qoq, PDBj:6qoq
PDBsum6qoq
PubMed32602532
UniProtB1MDI3

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