Structure of PDB 2p8n Chain A Binding Site BS01

Receptor Information
>2p8n Chain A (length=258) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPINQ
RFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAIT
HLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYS
TGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVI
TLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALM
VYRCAPPP
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 chain2p8n Chain A Residue 271 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2p8n Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site
Resolution1.94 Å
Binding residue
(original residue number in PDB)		Y80 V81 G121 Y123 I172 R180
Binding residue
(residue number reindexed from 1)		Y75 V76 G116 Y118 I167 R175
Annotation score4
Binding affinityMOAD: Kd=0.7mM
PDBbind-CN: -logKd/Ki=3.15,Kd=0.7mM
Enzymatic activity
Catalytic site (original residue number in PDB) V81 E177 R180
Catalytic site (residue number reindexed from 1) V76 E172 R175
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:2p8n, PDBe:2p8n, PDBj:2p8n
PDBsum2p8n
PubMed17986339
UniProtP02879|RICI_RICCO Ricin

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