MolNFT v1 · #163573 · protein
Crystal structure of NEK7 srs mutant bound to compound 51
6S73: “Crystal structure of NEK7 srs mutant bound to compound 51”. X-ray diffraction, 1 ligand (F9N). MolNFT v1 #163573 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6S73
- Type
- protein
- Length
- 1,055 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q8TDX7
- Ligands
- F9N
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 269 | — | Q8TDX7 |
| B | — | protein | 268 | — | Q8TDX7 |
| C | — | protein | 259 | — | Q8TDX7 |
| D | — | protein | 259 | — | Q8TDX7 |
Ligands and binding sites
- F9N · 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6S73 · Crystal structure of Nek7 SRS mutant bound to compound 51 · the same entry in another collection · chain D against D, TM-score 1.00
- Q8TDX7 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase NEK7 (Q8TDX7) · a predicted model of the same protein · chain D against A, TM-score 0.94
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 Q8TDX7
- Elsewhere: RCSB PDB 6S73 · PDBe 6S73 · UniProt Q8TDX7
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