Structure of PDB 6qoh Chain B Binding Site BS01

Receptor Information
>6qoh Chain B (length=215) 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
QRTIERRPDLLGFDS
Ligand information
Ligand ID6GU
InChIInChI=1S/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
InChIKeyRYYIULNRIVUMTQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Clc2nc(nc1c2ncn1)N
CACTVS 3.341Nc1nc(Cl)c2nc[nH]c2n1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)N)Cl
FormulaC5 H4 Cl N5
Name6-chloroguanine;
6-chloro-9H-purin-2-amine
ChEMBLCHEMBL226396
DrugBank
ZINCZINC000006523923
PDB chain6qoh 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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PDB6qoh Fragment-based discovery of a new class of inhibitors targeting mycobacterial tRNA modification.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		P83 T84 P85 S132 I133 Y136 G140 G141 A144
Binding residue
(residue number reindexed from 1)		P84 T85 P86 S133 I134 Y137 G141 G142 A145
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:6qoh, PDBe:6qoh, PDBj:6qoh
PDBsum6qoh
PubMed32602532
UniProtB1MDI3

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