MolNFT v1 · #124180 · protein
Design and optimization of biaryl ether aryl sulfonamides as selective inhibitors of NAV1.7: discovery of clinical candidate pf-05089771
5K7K: “Design and optimization of biaryl ether aryl sulfonamides as selective inhibitors of NAV1.7: discovery of…”. X-ray diffraction, 2 ligands (HEM, 6RJ). MolNFT v1 #124180 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5K7K
- Type
- protein
- Length
- 455 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P11712
- Ligands
- HEM, 6RJ
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 455 | — | P11712 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- 6RJ · 4-[4-chloranyl-2-(1~{H}-pyrazol-4-yl)phenoxy]-3-cyano-~{N}-(1,3-thiazol-2-yl)benzenesulfonamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5K7K · Design and Optimization of Biaryl Ether Aryl Sulfonamides as Selective Inhibitors of… · the same entry in another collection · chain A against A, TM-score 1.00
- P11712 · AlphaFold monomer V2.0 prediction for cytochrome P450 2C9 (P11712) · a predicted model of the same protein · chain A against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P11712
- Elsewhere: RCSB PDB 5K7K · PDBe 5K7K · UniProt P11712
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