Structure of PDB 1qd2 Chain A Binding Site BS01

Receptor Information
>1qd2 Chain A (length=247) Species: 3677 (Trichosanthes kirilowii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DVSFRLSGATSSSYGVFISNLRKALPNERKLYDIPLLRSSLPGSQRYALI
HLTNYADETISVAIDVTNVYIMGYRAGDTSYFFNEASATEAAKYVFKDAM
RKVTLPYSGNYERLQTAAGKIRENIPLGLPALDSAITTLFYYNANSAASA
LMVLIQSTSEAARYKFIEQQIGKRVDKTFLPSLAIISLENSWSALSKQIQ
IASTNNGQFESPVVLINAQNQRVTITNVDAGVVTSNIALLLNRNNMA
Ligand information
Ligand IDADE
InChIInChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
InChIKeyGFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(ncn2)N
ACDLabs 10.04n1c(c2ncnc2nc1)N
FormulaC5 H5 N5
NameADENINE
ChEMBLCHEMBL226345
DrugBankDB00173
ZINCZINC000000000882
PDB chain1qd2 Chain A Residue 280 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qd2 Crystal structures of the complexes of trichosanthin with four substrate analogs and catalytic mechanism of RNA N-glycosidase.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		Y70 I71 G109 Y111 I155 S159 R163
Binding residue
(residue number reindexed from 1)		Y70 I71 G109 Y111 I155 S159 R163
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) I71 E160 R163
Catalytic site (residue number reindexed from 1) I71 E160 R163
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0030598 rRNA N-glycosylase activity
GO:0090729 toxin activity
Biological Process
GO:0006952 defense response
GO:0017148 negative regulation of translation
GO:0035821 modulation of process of another organism
GO:0050688 regulation of defense response to virus

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Molecular Function
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Biological Process
External links
PDB RCSB:1qd2, PDBe:1qd2, PDBj:1qd2
PDBsum1qd2
PubMed10737925
UniProtP09989|RIPT_TRIKI Ribosome-inactivating protein alpha-trichosanthin

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