Structure of PDB 6qor Chain B Binding Site BS01

Receptor Information

>6qor Chain B (length=207) Species: 36809 (Mycobacteroides abscessus)

SMKIDVVTIFPEYLQPVRQSLPVDVAVHDLRRWTHDVHKSVDDSPYGGGP
GMVMKPTVWGDALDEICTSETLLVVPTPAGYPFTQETAWQWSTEDHLVIA
CGRYEGIDQRVADDAATRMRVREVSIGDYVLNGGEAAALVIIEAVLRLVP
GSLLEGPSYTRPPSWRGMDVPPVLLSGDHAKIAAWRAEQSRQRTIERRPD
LLGFDSP

Ligand information

• Ligand ID: JBK
• InChI: InChI=1S/C6H6N2O3/c7-6-4(8(10)11)2-1-3-5(6)9/h1-3,9H,7H2
• InChIKey: KUCWUAFNGCMZDB-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: Nc1c(O)cccc1[N+]([O-])=O
  OpenEye OEToolkits 2.0.7: c1cc(c(c(c1)O)N)[N+](=O)[O-]
• Formula: C6 H6 N2 O3
• Name: 2-azanyl-3-nitro-phenol
• ZINC: ZINC000004272219
• PDB chain: 6qor Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6qor Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
• Resolution: 1.671 Å
• Binding residue (original residue number in PDB): T84 P85 S132 I133 G134 V137 L138
• Binding residue (residue number reindexed from 1): T77 P78 S125 I126 G127 V130 L131
• Annotation score: 1

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

External links

• PDB: RCSB:6qor, PDBe:6qor, PDBj:6qor
• PDBsum: 6qor
• PubMed: 32602532
• UniProt: B1MDI3