MolNFT v1 · #135371 · protein
RIP1 kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772
5TX5 · Receptor-interacting SERINE/THREONINE-protein kinase 1: “RIP1 kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772”. X-ray diffraction, 1 ligand (7MJ), 5 pockets (best druggability 0.78). MolNFT v1 #135371 on GenesisL1: 3D…
- PDB
- 5TX5
- Type
- protein
- Length
- 522 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Receptor-interacting SERINE/THREONINE-protein kinase 1
- EC
- 2.7.11.1
- UniProt
- Q13546
- Ligands
- 7MJ
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Receptor-interacting SERINE/THREONINE-protein kinase 1 (EC 2.7.11.1) | protein | 259 | 39% helix, 18% strand | Q13546 |
| B | Receptor-interacting SERINE/THREONINE-protein kinase 1 (EC 2.7.11.1) | protein | 263 | 45% helix, 14% strand | Q13546 |
Ligands and binding sites
- 7MJ · 3-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-5-carboxamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1165 | 0.78 | 0.80 | 87 | empty |
| 2 | 327 | 0.72 | 0.84 | 45 | 7MJ |
| 3 | 214 | 0.70 | 0.86 | 32 | 7MJ |
| 4 | 54 | 0.40 | 0.81 | 16 | empty |
| 5 | 67 | 0.31 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 488 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5TX5 · Rip1 Kinase ( flag 1-294, C34A, C127A, C233A, C240A) with GSK772 · the same entry in another collection · chain A against A, TM-score 1.00
- Q13546 · AlphaFold monomer V2.0 prediction for receptor-interacting SERINE/THREONINE-protein… · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q13546
- Elsewhere: RCSB PDB 5TX5 · PDBe 5TX5 · UniProt Q13546
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