Structure of PDB 4izs Chain A Binding Site BS01

Receptor Information

>4izs Chain A (length=261) Species: 501897 (Nesterenkonia sp. 10004)

GLVPRGSHMRIALMQHTARPLDPQHNLDLIDDAAARASEQGAQLLLTPEL
FGFGYVPSQICAQVSAEQVDAARSRLRGIARDRGIALVWSLPGPEGPEQR
GITAELADEHGEVLASYQKVQLYGPEEKAAFVPGEQPPPVLSWGGRQLSL
LVAYDVEFPEMVRAAAARGAQLVLVPTALAGDETSVPGILLPARAVENGI
TLAYANHCGPEGGLVFDGGSVVVGPAGQPLGELGVEPGLLVVDLPADYLQ
DRRAELHRNWL

Ligand information

• Ligand ID: BMD
• InChI: InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
• InChIKey: DNSISZSEWVHGLH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(N)CCC
  OpenEye OEToolkits 1.5.0: CCCC(=O)N
  CACTVS 3.341: CCCC(N)=O
• Formula: C4 H9 N O
• Name: BUTYRAMIDE
• ChEMBL: CHEMBL1231396
• DrugBank: DB02121
• ZINC: ZINC000001586734
• PDB chain: 4izs Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4izs 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: 1.44 Å
• Binding residue (original residue number in PDB): E41 K111 Y115 E119 A145 Y146 E149 A170
• Binding residue (residue number reindexed from 1): E49 K119 Y123 E127 A153 Y154 E157 A178
• 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:4izs, PDBe:4izs, PDBj:4izs
• PDBsum: 4izs
• UniProt: D0VWZ1