MolNFT v1 · #101550 · protein
RSK2 N-terminal kinase in complex with LJH685
4NUS · Ribosomal protein S6 kinase alpha-3: “RSK2 N-terminal kinase in complex with LJH685”. X-ray diffraction, 1 ligand (2NK), 2 pockets (best druggability 0.70). MolNFT v1 #101550 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4NUS
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribosomal protein S6 kinase alpha-3
- EC
- 2.7.11.1
- UniProt
- P51812
- Ligands
- 2NK
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribosomal protein S6 kinase alpha-3 (EC 2.7.11.1) | protein | 301 | 38% helix, 17% strand | P51812 |
Ligands and binding sites
- 2NK · 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol · ligand · 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 | 514 | 0.70 | 0.79 | 54 | 2NK |
| 2 | 52 | 0.33 | 0.77 | 11 | empty |
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 P51812
- Elsewhere: RCSB PDB 4NUS · PDBe 4NUS · UniProt P51812
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