Structure of PDB 4izu Chain A Binding Site BS02

Receptor Information

>4izu Chain A (length=254) Species: 501897 (Nesterenkonia sp. 10004)

HMRIALMQHTARPLDPQHNLDLIDDAAARASEQGAQLLLTPQLFGFGYVP
SQICAQVSAEQVDAARSRLRGIARDRGIALVWSLPGPEGPEQRGITAELA
DEHGEVLASYQKVQLYGPEEKAAFVPGEQPPPVLSWGGRQLSLLVCYDVE
FPEMVRAAAARGAQLVLVPTALAGDETSVPGILLPARAVENGITLAYANH
CGPEGGLVFDGGSVVVGPAGQPLGELGVEPGLLVVDLPADYLQDRRAELH
RNWL

Ligand information

• Ligand ID: ROP
• InChI: InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
• InChIKey: QLNJFJADRCOGBJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(N)CC
  OpenEye OEToolkits 1.5.0: CCC(=O)N
  CACTVS 3.341: CCC(N)=O
• Formula: C3 H7 N O
• Name: PROPIONAMIDE
• ChEMBL: CHEMBL1235716
• DrugBank: DB04161
• ZINC: ZINC000001670847
• PDB chain: 4izu Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4izu Covalent modifications of the active site cysteine occur as a result of mutating the glutamate of the catalytic triad in the amidase from Nesterenkonia sp.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): Q41 Y47 K111 Y115 C145 Y146
• Binding residue (residue number reindexed from 1): Q42 Y48 K112 Y116 C146 Y147
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.4: amidase.

Gene Ontology

Molecular Function

• GO:0004040 amidase activity
• GO:0016787 hydrolase activity
• GO:0043864 indoleacetamide hydrolase activity
• GO:0050126 N-carbamoylputrescine amidase activity

Biological Process

• GO:0033388 putrescine biosynthetic process from arginine

External links

• PDB: RCSB:4izu, PDBe:4izu, PDBj:4izu
• PDBsum: 4izu
• UniProt: D0VWZ1