Structure of PDB 5jyx Chain A Binding Site BS01

Receptor Information
>5jyx Chain A (length=105) 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
SGGVP
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 A 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)		C21 D28 L61 H62 E63 Y90
Binding residue
(residue number reindexed from 1)		C21 D28 L61 H62 E63 Y90
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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