Structure of PDB 3u6z Chain A Binding Site BS01

Receptor Information

>3u6z Chain A (length=246) Species: 3672 (Momordica balsamina)

DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLM
HLFNYDGNTITVAVDVTNVYIMGYLALTTSYFFNEPAADLASQYVFRSAR
RKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGA
LLVLIQTTAEAARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQ
LAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLLLNTKNI

Ligand information

• Ligand ID: ADE
• InChI: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
• InChIKey: GFFGJBXGBJISGV-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Nc1ncnc2[nH]cnc12
  OpenEye OEToolkits 1.5.0: c1[nH]c2c(n1)c(ncn2)N
  ACDLabs 10.04: n1c(c2ncnc2nc1)N
• Formula: C5 H5 N5
• Name: ADENINE
• ChEMBL: CHEMBL226345
• DrugBank: DB00173
• ZINC: ZINC000000000882
• PDB chain: 3u6z Chain A Residue 248

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3u6z Crystal structures of a type-1 ribosome inactivating protein from Momordica balsamina in the bound and unbound states
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): Y70 I71 G109 Y111 I155 R163
• Binding residue (residue number reindexed from 1): Y70 I71 G109 Y111 I155 R163
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): I71 E160 R163
• Catalytic site (residue number reindexed from 1): I71 E160 R163
• Enzyme Commision number: 3.2.2.22: rRNA N-glycosylase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0016787 hydrolase activity
• GO:0030598 rRNA N-glycosylase activity
• GO:0090729 toxin activity

Biological Process

• GO:0017148 negative regulation of translation
• GO:0035821 modulation of process of another organism

External links

• PDB: RCSB:3u6z, PDBe:3u6z, PDBj:3u6z
• PDBsum: 3u6z
• PubMed: 22361570
• UniProt: D9J2T9