Structure of PDB 3ku0 Chain B Binding Site BS01

Receptor Information
>3ku0 Chain B (length=251) Species: 3979 (Suregada multiflora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLDTVSFSTKGATYITYVNFLNELRVKLKPEGNSHGIPLLRKKCDDPGKC
FVLVALSNDNGQLAEIAIDVTSVYVVGYQVRNRSYFFKDAPDAAYEGLFK
NTIKTRLHFGGSYPSLEGEKAYRETTDLGIEPLRIGIKKLDENAIDNYKP
TEIASSLLVVIQMVSEAARFTFIENQIRNNFQQRIRPANNTISLENKWGK
LSFQIRTSGANGMFSEAVELERANGKKYYVTAVDQVKPKIALLKFVDKDP
K
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 chain3ku0 Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ku0 A new activity of anti-HIV and anti-tumor protein GAP31: DNA adenosine glycosidase--structural and modeling insight into its functions.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y74 V75 G111 Y113 I161 R169
Binding residue
(residue number reindexed from 1)		Y74 V75 G111 Y113 I161 R169
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V75 E166 R169
Catalytic site (residue number reindexed from 1) V75 E166 R169
Enzyme Commision number 3.2.2.22: rRNA N-glycosylase.
Gene Ontology
Molecular Function
GO:0030598 rRNA N-glycosylase activity
Biological Process
GO:0017148 negative regulation of translation

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Molecular Function
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Biological Process
External links
PDB RCSB:3ku0, PDBe:3ku0, PDBj:3ku0
PDBsum3ku0
PubMed19913503
UniProtP33186|RIPG_SURMU Ribosome-inactivating protein gelonin (Gene Name=GEL)

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