Structure of PDB 5jyx Chain I Binding Site BS02

Receptor Information
>5jyx Chain I (length=107) Species: 410359 (Pyrobaculum calidifontis JCM 11548) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLKVSKSPSLVRLKTRGESVCPISKTVDSFEVSVEYIPRGAVLAIEEFKK
MVDSYRGREILHEELAVDLLEKVKAAVNPPYVKVTVKSYYIGVEVEVVAE
SGGVPPV
Ligand information
Ligand IDGD1
InChIInChI=1S/C7H7N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h1-2,8H,(H4,9,10,11,12,13)/b8-1-
InChIKeyBETPBINTBSWYLZ-QPIMQUGISA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C1c2c(cnc2N=C(N)N1)C=[N@H]
OpenEye OEToolkits 1.7.6c1c(c2c([nH]1)N=C(NC2=O)N)C=N
CACTVS 3.370NC1=Nc2[nH]cc(C=N)c2C(=O)N1
OpenEye OEToolkits 1.7.6[H]/N=C\c1c[nH]c2c1C(=O)NC(=N2)N
FormulaC7 H7 N5 O
Name2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one;
7-cyano-7-deazaguanine, bound form
ChEMBL
DrugBank
ZINC
PDB chain5jyx Chain O Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jyx Crystal structure of the archaeosine synthase QueF-like-Insights into amidino transfer and tRNA recognition by the tunnel fold.
Resolution2.74 Å
Binding residue
(original residue number in PDB)		I45 E46
Binding residue
(residue number reindexed from 1)		I45 E46
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0033739 preQ1 synthase activity
Biological Process
GO:0008033 tRNA processing
GO:0008616 queuosine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5jyx, PDBe:5jyx, PDBj:5jyx
PDBsum5jyx
PubMed27802572
UniProtA3MSP1|QUEFL_PYRCJ Archaeosine synthase (Gene Name=queF-L)

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