Structure of PDB 7n2x Chain A Binding Site BS02

Receptor Information

>7n2x Chain A (length=201) Species: 83334 (Escherichia coli O157:H7)

MSKVLVLKSSILAGYSQSNQLSDYFVEQWREKHSADEITVRDLAANPIPV
LDGELVGALRPSDAPLTTRQQEALALSDELIAELKAHDVIVIAAPMYNFN
ISTQLKNYFDLVARAGVTFRYTENGPEGLVTGKKAIVITSRGGIHKDGPT
DLVTPYLSTFLGFIGITDVKFVFAEGIAYGPEMAAKAQSDAKAAIDSIVA
A

Ligand information

• Ligand ID: DHA
• InChI: InChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
• InChIKey: UQBOJOOOTLPNST-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(=C)\N
  CACTVS 3.341: NC(=C)C(O)=O
  OpenEye OEToolkits 1.5.0: C=C(C(=O)O)N
• Formula: C3 H5 N O2
• Name: 2-AMINO-ACRYLIC ACID;
  2,3-DIDEHYDROALANINE
• DrugBank: DB02688
• PDB chain: 7n2x Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7n2x Uncovering a novel mechanism of enzyme activation in multimeric azoreductases
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): N100 L152 Y156
• Binding residue (residue number reindexed from 1): N100 L152 Y156
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.6.5.-
  1.7.1.17: FMN-dependent NADH-azoreductase.

Gene Ontology

Molecular Function

• GO:0009055 electron transfer activity
• GO:0010181 FMN binding
• GO:0016491 oxidoreductase activity
• GO:0016652 oxidoreductase activity, acting on NAD(P)H as acceptor
• GO:0016655 oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
• GO:0042803 protein homodimerization activity
• GO:0050446 azobenzene reductase activity

Biological Process

• GO:0006979 response to oxidative stress

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:7n2x, PDBe:7n2x, PDBj:7n2x
• PDBsum: 7n2x
• UniProt: P41407|AZOR_ECOLI FMN-dependent NADH:quinone oxidoreductase (Gene Name=azoR)