Structure of PDB 7xzu Chain A Binding Site BS02

Receptor Information

>7xzu Chain A (length=259) Species: 3988 (Ricinus communis)

QYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPIN
QRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAI
THLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYY
STGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSV
ITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIAL
MVYRCAPPP

Ligand information

• Ligand ID: IEK
• InChI: InChI=1S/C16H14N6O4/c17-16-21-12-11(14(24)22-16)18-7-10(19-12)13(23)20-9(15(25)26)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,20,23)(H,25,26)(H3,17,19,21,22,24)/t9-/m0/s1
• InChIKey: AJHMFJMLQDPCOX-VIFPVBQESA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N
  CACTVS 3.385: NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[CH](Cc3ccccc3)C(O)=O
  CACTVS 3.385: NC1=Nc2nc(cnc2C(=O)N1)C(=O)N[C@@H](Cc3ccccc3)C(O)=O
  OpenEye OEToolkits 2.0.7: c1ccc(cc1)CC(C(=O)O)NC(=O)c2cnc3c(n2)N=C(NC3=O)N
• Formula: C16 H14 N6 O4
• Name: (2S)-2-[(2-azanyl-4-oxidanylidene-3H-pteridin-7-yl)carbonylamino]-3-phenyl-propanoic acid;
  (2-amino-4-oxo-3,4-dihydropteridine-7-carbonyl)-D-tyrosine
• ChEMBL: CHEMBL4785735
• PDB chain: 7xzu Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7xzu Conformational change in ricin toxin A-Chain: A critical factor for inhibitor binding to the secondary pocket.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D75 N78 Y80 D96 D100 W211 R258
• Binding residue (residue number reindexed from 1): D71 N74 Y76 D92 D96 W207 R254
• Annotation score: 1

Enzymatic activity

• 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

External links

• PDB: RCSB:7xzu, PDBe:7xzu, PDBj:7xzu
• PDBsum: 7xzu
• PubMed: 35998389
• UniProt: P02879|RICI_RICCO Ricin