MolNFT v1 · #182930 · protein
P70 S6K1 in complex with MSC2317067A-1
7N91 · Ribosomal protein S6 kinase beta-1: “P70 S6K1 in complex with MSC2317067A-1”. X-ray diffraction, 1 ligand (1RJ), 6 pockets (best druggability 0.71). MolNFT v1 #182930 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7N91
- Type
- protein
- Length
- 620 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribosomal protein S6 kinase beta-1
- EC
- 2.7.11.1
- UniProt
- P23443
- Ligands
- 1RJ
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribosomal protein S6 kinase beta-1 (EC 2.7.11.1) | protein | 307 | 36% helix, 16% strand | P23443 |
| B | Ribosomal protein S6 kinase beta-1 (EC 2.7.11.1) | protein | 313 | 35% helix, 16% strand | P23443 |
Ligands and binding sites
- 1RJ · 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino) ethyl]amino}quinazoline-8-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 429 | 0.71 | 0.81 | 47 | 1RJ |
| 2 | 479 | 0.71 | 0.81 | 52 | 1RJ |
| 3 | 520 | 0.65 | 0.76 | 62 | empty |
| 4 | 123 | 0.41 | 0.76 | 16 | empty |
| 5 | 83 | 0.32 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 585 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
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 P23443
- Elsewhere: RCSB PDB 7N91 · PDBe 7N91 · UniProt P23443
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