Structure of PDB 4jtp Chain A Binding Site BS01

Receptor Information

>4jtp Chain A (length=246) Species: 3672 (Momordica balsamina)

DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLM
HLFNYDGNTITVAVDVTNVYIMGYLALTTSYFFNEPAADLASQYVFRSAR
RKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGA
LLVLIQTTAEAARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQ
LAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLLLNTKNI

Ligand information

• Ligand ID: ASC
• InChI: InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
• InChIKey: CIWBSHSKHKDKBQ-JLAZNSOCSA-N
• SMILES:
  CACTVS 3.341: OC[CH](O)[CH]1OC(=O)C(=C1O)O
  OpenEye OEToolkits 1.5.0: C(C(C1C(=C(C(=O)O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
  CACTVS 3.341: OC[C@H](O)[C@H]1OC(=O)C(=C1O)O
  ACDLabs 10.04: O=C1OC(C(O)=C1O)C(O)CO
• Formula: C6 H8 O6
• Name: ASCORBIC ACID;
  Vitamin C
• ChEMBL: CHEMBL196
• DrugBank: DB00126
• ZINC: ZINC000100006770
• PDB chain: 4jtp Chain A Residue 802

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4jtp Crystal structure of Ribosome inactivating protein from Momordica balsamina complexed with Ascorbic acid at 1.85 Angstrom resolution
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): Y70 G109 N110 Y111
• Binding residue (residue number reindexed from 1): Y70 G109 N110 Y111
• Annotation score: 3

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:4jtp, PDBe:4jtp, PDBj:4jtp
• PDBsum: 4jtp
• UniProt: D9J2T9