Structure of PDB 2r2x Chain A Binding Site BS01

Receptor Information

>2r2x Chain A (length=258) Species: 3988 (Ricinus communis)

YPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPINQ
RFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAIT
HLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYS
TGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVI
TLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALM
VYRCAPPP

Ligand information

• Ligand ID: URE
• InChI: InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
• InChIKey: XSQUKJJJFZCRTK-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(=O)(N)N
  CACTVS 3.341: NC(N)=O
  ACDLabs 10.04: O=C(N)N
• Formula: C H4 N2 O
• Name: UREA
• ChEMBL: CHEMBL985
• DrugBank: DB03904
• ZINC: ZINC000008214514
• PDB chain: 2r2x Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2r2x Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): Y80 V81 G121 I172
• Binding residue (residue number reindexed from 1): Y75 V76 G116 I167
• Annotation score: 3

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

External links

• PDB: RCSB:2r2x, PDBe:2r2x, PDBj:2r2x
• PDBsum: 2r2x
• PubMed: 17986339
• UniProt: P02879|RICI_RICCO Ricin