Structure of PDB 4fxa Chain A Binding Site BS01

Receptor Information

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

DVSFRLSGADPSSYGMFIKDLRNALPHTEKVYNIPLLLPSVSGAGRYLLM
HLFNYDGNTITVAVDVTNVYIMGYLALTTSYFFNEPAADLASQYVFRSAR
RKITLPYSGNYERLQIAAGKPREKIPIGLPALDTAISTLLHYDSTAAAGA
LLVLIQTTAEAARFKYIEQQIQERAYRDEVPSSATISLENSWSGLSKQIQ
LAQGNNGVFRTPTVLVDSKGNRVQITNVTSNVVTSNIQLLLNTKNI

Ligand information

• Ligand ID: AAG
• InChI: InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
• InChIKey: SNEIUMQYRCDYCH-LURJTMIESA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(=O)NC(CCCNC(=N)N)C(=O)O
  ACDLabs 10.04: O=C(NC(C(=O)O)CCCNC(=[N@H])N)C
  OpenEye OEToolkits 1.5.0: CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O
  CACTVS 3.341: CC(=O)N[CH](CCCNC(N)=N)C(O)=O
  CACTVS 3.341: CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O
• Formula: C8 H16 N4 O3
• Name: N-ALPHA-L-ACETYL-ARGININE
• DrugBank: DB01985
• ZINC: ZINC000001847640
• PDB chain: 4fxa Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4fxa Crystal structure of the complex of Ribosome inactivating protein from Momordica balsamina with N-acetyl arginine at 1.7 Angstrom resolution
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): V69 Y70 I71 E85 G109 I155 A159 R163
• Binding residue (residue number reindexed from 1): V69 Y70 I71 E85 G109 I155 A159 R163
• Annotation score: 1

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