Structure of PDB 6qos Chain B Binding Site BS01

Receptor Information
>6qos Chain B (length=216) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKIDVVTIFPEYLQPVRQSLPGKAIDAGLVDVAVHDLRRWTHDVHKSVD
DSPYGGGPGMVMKPTVWGDALDEICTSETLLVVPTPAGYPFTQETAWQWS
TEDHLVIACGRYEGIDQRVADDAATRMRVREVSIGDYVLNGGEAAALVII
EAVLRLVPGVSLLEGPSYTRPPSWRGMDVPPVLLSGDHAKIAAWRAEQSR
QRTIERRPDLLGFDSP
Ligand information
Ligand IDGOJ
InChIInChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKeyKACZQOKEFKFNDB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOC(=O)c1c[nH]nc1
FormulaC6 H8 N2 O2
Nameethyl 1~{H}-pyrazole-4-carboxylate
ChEMBLCHEMBL4461273
DrugBank
ZINCZINC000000409316
PDB chain6qos 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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PDB6qos Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Resolution2.052 Å
Binding residue
(original residue number in PDB)		T84 P85 S132 I133 G134 L138 G140 G141
Binding residue
(residue number reindexed from 1)		T85 P86 S133 I134 G135 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:6qos, PDBe:6qos, PDBj:6qos
PDBsum6qos
PubMed32602532
UniProtB1MDI3

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