Structure of PDB 4izv Chain A Binding Site BS02

Receptor Information

>4izv Chain A (length=262) Species: 501897 (Nesterenkonia sp. 10004)

GLVPRGSHMRIALMQHTARPLDPQHNLDLIDDAAARASEQGAQLLLTPQL
FGFGYVPSQICAQVSAEQVDAARSRLRGIARDRGIALVWSLPGPEGPEQR
GITAELADEHGEVLASYQKVQLYGPEEKAAFVPGEQPPPVLSWGGRQLSL
LVAYDVEFPEMVRAAAARGAQLVLVPTALAGDETSVPGILLPARAVENGI
TLAYANHCGPEGGLVFDGGSVVVGPAGQPLGELGVEPGLLVVDLPDADYL
QDRRAELHRNWL

Ligand information

• Ligand ID: 1HC
• InChI: InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
• InChIKey: HRPVXLWXLXDGHG-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C=CC(=O)N
  ACDLabs 12.01: O=C(\C=C)N
  CACTVS 3.370: NC(=O)C=C
• Formula: C3 H5 N O
• Name: prop-2-enamide
• ChEMBL: CHEMBL348107
• ZINC: ZINC000000901075
• PDB chain: 4izv Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4izv 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: 1.65 Å
• Binding residue (original residue number in PDB): Q41 K111 Y115 A145 Y146
• Binding residue (residue number reindexed from 1): Q49 K119 Y123 A153 Y154
• 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:4izv, PDBe:4izv, PDBj:4izv
• PDBsum: 4izv
• UniProt: D0VWZ1