MolNFT v1 · #98244 · protein
Crystal structures of human P70S6K1 kinase domain (zinc anomalous)
4L3L · RPS6KB1 protein: “Crystal structures of human P70S6K1 kinase domain (zinc anomalous)”. X-ray diffraction, 2 ligands (5FI, ZN), 3 pockets (best druggability 0.75). MolNFT v1 #98244 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4L3L
- Type
- protein
- Length
- 291 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RPS6KB1 protein
- UniProt
- Q7Z721
- Ligands
- 5FI, ZN
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RPS6KB1 protein | protein | 291 | 40% helix, 16% strand | Q7Z721 |
Ligands and binding sites
- 5FI · 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole · ligand · chains A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 335 | 0.75 | 0.86 | 38 | 5FI |
| 2 | 338 | 0.67 | 0.81 | 32 | empty |
| 3 | 69 | 0.39 | 0.78 | 15 | empty |
Compared structures
- 4L3L · Crystal structures of human p70S6K1 kinase domain (Zinc anomalous) · the same entry in another collection · chain A against A, TM-score 1.00
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 Q7Z721
- Elsewhere: RCSB PDB 4L3L · PDBe 4L3L · UniProt Q7Z721
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