MolNFT v1 · #105989 · protein
Human P70S6K1 with ruthenium-based inhibitor FL772
4RLP: “Human P70S6K1 with ruthenium-based inhibitor FL772”. X-ray diffraction, 2 ligands (72B, CL), 2 pockets (best druggability 0.65). MolNFT v1 #105989 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RLP
- Type
- protein
- Length
- 261 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- P70S6K1
- EC
- 2.7.11.1
- UniProt
- P23443
- Ligands
- 72B, CL
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | P70S6K1 (EC 2.7.11.1) | protein | 261 | 34% helix, 18% strand | P23443 |
Ligands and binding sites
- 72B · [(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dionato-kappa~2~N,N')(N-methyl-1,4,7-trithiecan-9-amine-kappa~3~S~1~,S~4~,S~7~)ruthenium · ligand · chains A
- CL · Chloride ion · ion · 6 copies · 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 | 359 | 0.65 | 0.79 | 39 | 72B |
| 2 | 181 | 0.44 | 0.74 | 25 | 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 P23443
- Elsewhere: RCSB PDB 4RLP · PDBe 4RLP · UniProt P23443
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