Structure of PDB 6qod Chain B Binding Site BS01

Receptor Information
>6qod Chain B (length=213) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKIDVVTIFPEYLQPVRLPGKAIDAGLVDVAVHDLRRWTHDVHKSVDDS
PYGGGPGMVMKPTVWGDALDEICTSETLLVVPTPAGYPFTQETAWQWSTE
DHLVIACGRYEGIDQRVADDAATRMRVREVSIGDYVLNGGEAAALVIIEA
VLRLVPGVSLLEGPSYTRPPSWRGMDVPPVLLSGDHAKIAAWRAEQSRQR
TIERRPDLLGFDS
Ligand information
Ligand IDFBB
InChIInChI=1S/C7H5FN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyCJLUXPZQUXVJNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1F)sc(n2)N
CACTVS 3.370Nc1sc2cc(F)ccc2n1
ACDLabs 12.01Fc1ccc2nc(sc2c1)N
FormulaC7 H5 F N2 S
Name6-fluoro-1,3-benzothiazol-2-amine
ChEMBLCHEMBL98406
DrugBank
ZINCZINC000017744334
PDB chain6qod 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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PDB6qod Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Resolution1.852 Å
Binding residue
(original residue number in PDB)		P83 T84 P85 I133 L138 G140 G141
Binding residue
(residue number reindexed from 1)		P82 T83 P84 I132 L137 G139 G140
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P85 E112 R154
Catalytic site (residue number reindexed from 1) P84 E111 R153
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:6qod, PDBe:6qod, PDBj:6qod
PDBsum6qod
PubMed32602532
UniProtB1MDI3

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