Structure of PDB 4hv7 Chain X Binding Site BS01

Receptor Information
>4hv7 Chain X (length=263) Species: 3988 (Ricinus communis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPIN
QRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAI
THLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYY
STGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSV
ITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIAL
MVYRCAPPPSSQF
Ligand information
Ligand ID19J
InChIInChI=1S/C11H11N7O5/c12-11-17-8-7(10(23)18-11)14-1-4(16-8)9(22)15-2-5(19)13-3-6(20)21/h1H,2-3H2,(H,13,19)(H,15,22)(H,20,21)(H3,12,16,17,18,23)
InChIKeyWMBGGQNJJUXOQV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC1=NC(=O)c2ncc(nc2N1)C(=O)NCC(=O)NCC(O)=O
OpenEye OEToolkits 1.7.6c1c(nc2c(n1)C(=O)N=C(N2)N)C(=O)NCC(=O)NCC(=O)O
FormulaC11 H11 N7 O5
Name2-[2-[(2-azanyl-4-oxidanylidene-1H-pteridin-7-yl)carbonylamino]ethanoylamino]ethanoic acid
ChEMBL
DrugBank
ZINCZINC000095920653
PDB chain4hv7 Chain X Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4hv7 Peptide-conjugated pterins as inhibitors of ricin toxin A.
Resolution1.869 Å
Binding residue
(original residue number in PDB)		Y80 V81 G121 Y123 I172 S176 R180
Binding residue
(residue number reindexed from 1)		Y76 V77 G117 Y119 I168 S172 R176
Annotation score1
Binding affinityMOAD: ic50=300uM
PDBbind-CN: -logKd/Ki=3.52,IC50=300uM
Enzymatic activity
Catalytic site (original residue number in PDB) V81
Catalytic site (residue number reindexed from 1) V77
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4hv7, PDBe:4hv7, PDBj:4hv7
PDBsum4hv7
PubMed23214944
UniProtP02879|RICI_RICCO Ricin

[Back to BioLiP]