Structure of PDB 1it8 Chain A Binding Site BS03

Receptor Information
>1it8 Chain A (length=577) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KMLKFEIKARDGAGRIGKLEVNGKKIETPAIMPVVNPKQMVVEPKELEKM
GFEIIITNSYIIYKDEELRRKALELGIHRMLDYNGIIEVDSGSFQLMKYG
SIEVSNREIIEFQHRIGVDIGTFLDIPTPPDAPREQAVKELEITLSRARE
AEEIKEIPMNATIQGSTYTDLRRYAARRLSSMNFEIHPIGGVVPLLESYR
FRDVVDIVISSKMALRPDRPVHLFGAGHPIVFALAVAMGVDLFDSASYAL
YAKDDRYMTPEGTKRLDELDYFPCSCPVCSKYTPQELREMPKEERTRLLA
LHNLWVIKEEIKRVKQAIKEGELWRLVDERARSHPKLYSAYKRLLEHYTF
LEEFEPITKKSALFKISNESLRWPVVRRAKERAKSINERFGELVEHPIFG
RVSRYLSLTYPFAQSEAEDDFKIEKPTKEDAIKYVMAIAEYQFGEGASRA
FDDAKVELSKTGMPRQVKVNGKRLATVRADDGLLTLGIEGAKRLHRVLPY
PRMRVVVNKEAEPFARKGKDVFAKFVIFADPGIRPYDEVLVVNENDELLA
TGQALLSGREMIVFQYGRAVKVRKGVE
Ligand information
Ligand IDPQ0
InChIInChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChIKeyFMKSMYDYKXQYRV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2[nH]cc(C#N)c2C(=O)N1
OpenEye OEToolkits 1.5.0c1c(c2c([nH]1)N=C(NC2=O)N)C#N
ACDLabs 10.04N#Cc1cnc2N=C(NC(=O)c12)N
FormulaC7 H5 N5 O
Name2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDINE-5-CARBONITRILE;
7-DEAZA-7-CYANO-GUANINE
ChEMBLCHEMBL577120
DrugBankDB03074
ZINCZINC000005973818
PDB chain1it8 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1it8 Crystal structure of archaeosine tRNA-guanine transglycosylase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D95 S98 F99 D130 P132 G195 G196 V198 F229
Binding residue
(residue number reindexed from 1)		D90 S93 F94 D125 P127 G190 G191 V193 F224
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D95 D249 C279 C281 C284 H307
Catalytic site (residue number reindexed from 1) D90 D244 C274 C276 C279 H302
Enzyme Commision number 2.4.2.48: tRNA-guanine(15) transglycosylase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008270 zinc ion binding
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0002099 tRNA wobble guanine modification
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0008616 queuosine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1it8, PDBe:1it8, PDBj:1it8
PDBsum1it8
PubMed12054814
UniProtO58843|ATGT_PYRHO tRNA-guanine(15) transglycosylase (Gene Name=tgtA)

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