Structure of PDB 5fzn Chain A Binding Site BS01

Receptor Information
>5fzn Chain A (length=290) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGL
LYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDG
HIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLY
AVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAG
GYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYD
GHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPC
Ligand information
Ligand IDFB2
InChIInChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyKHBQMWCZKVMBLN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.6.1c1ccc(cc1)S(=O)(=O)N
CACTVS 3.352N[S](=O)(=O)c1ccccc1
ACDLabs 10.04O=S(=O)(N)c1ccccc1
FormulaC6 H7 N O2 S
Namebenzenesulfonamide
ChEMBLCHEMBL27601
DrugBank
ZINCZINC000000330150
PDB chain5fzn Chain A Residue 1615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5fzn Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		Y334 G364 R415 A556 S602 G603
Binding residue
(residue number reindexed from 1)		Y11 G41 R92 A233 S279 G280
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:5fzn, PDBe:5fzn, PDBj:5fzn
PDBsum5fzn
PubMed27031670
UniProtQ9Z2X8|KEAP1_MOUSE Kelch-like ECH-associated protein 1 (Gene Name=Keap1)

[Back to BioLiP]