MolNFT v1 · #126511 · protein
NEK2 bound to arylaminopurine 71
5M55 · SERINE/THREONINE-protein kinase NEK2: “NEK2 bound to arylaminopurine 71”. X-ray diffraction, 3 ligands (7GG, SO4, CL), 2 pockets (best druggability 0.56). MolNFT v1 #126511 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5M55
- Type
- protein
- Length
- 240 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase NEK2
- EC
- 2.7.11.1
- UniProt
- P51955
- Ligands
- 7GG, SO4, CL
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase NEK2 (EC 2.7.11.1) | protein | 240 | 42% helix, 19% strand | P51955 |
Ligands and binding sites
- 7GG · 6-[(~{Z})-2-(diethylamino)ethenyl]-~{N}-phenyl-7~{H}-purin-2-amine · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 275 | 0.56 | 0.76 | 31 | 7GG |
| 2 | 57 | 0.27 | 0.73 | 21 | CL |
Compared structures
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 P51955
- Elsewhere: RCSB PDB 5M55 · PDBe 5M55 · UniProt P51955
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