Structure of PDB 3n31 Chain A Binding Site BS01

Receptor Information

>3n31 Chain A (length=246) Species: 3672 (Momordica balsamina)

DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLM
HLFNYDGNTITVAVDVTNVYIMGYLALTTSYFFNEPAADLASQYVFRSAR
RKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGA
LLVLIQTTAEAARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQ
LAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLLLNTKNI

Ligand information

• Ligand ID: FCA
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1
• InChIKey: SHZGCJCMOBCMKK-PHYPRBDBSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  CACTVS 3.341: C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-D-fucopyranose;
  alpha-D-fucose;
  6-deoxy-alpha-D-galactopyranose;
  D-fucose;
  fucose
• ChEMBL: CHEMBL609880
• DrugBank: DB03485
• ZINC: ZINC000001532815
• PDB chain: 3n31 Chain A Residue 247

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3n31 Crystal Structure of the complex of type I ribosome inactivating protein with fucose at 2.1A resolution
• Resolution: 2.11 Å
• Binding residue (original residue number in PDB): V69 Y70 I71 G109 Y111 I155 R163
• Binding residue (residue number reindexed from 1): V69 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:3n31, PDBe:3n31, PDBj:3n31
• PDBsum: 3n31
• UniProt: D9J2T9