MolNFT v1 · #117466 · protein
TGF-beta receptor type 2 kinase domain (E431A,R433A,E485A,K488A,R493A, R495A) in complex with 3-amino-6-[4-(2- HYDROXYETHYL)PHENYL]-N-[4- (morpholin-4-YL)PYRIDIN-3-yl] pyrazine-2-carboxamide
5E91 · TGF-beta receptor type-2: “TGF-beta receptor type 2 kinase domain (E431A,R433A,E485A,K488A,R493A, R495A) in complex with…”. X-ray diffraction, 1 ligand (5L4), 4 pockets (best druggability 0.67). MolNFT v1 #117466 on GenesisL1: 3D…
- PDB
- 5E91
- Type
- protein
- Length
- 297 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TGF-beta receptor type-2
- EC
- 2.7.11.30
- UniProt
- P37173
- Ligands
- 5L4
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TGF-beta receptor type-2 (EC 2.7.11.30) | protein | 297 | 39% helix, 19% strand | P37173 |
Ligands and binding sites
- 5L4 · 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 251 | 0.67 | 0.83 | 35 | 5L4 |
| 2 | 99 | 0.64 | 0.89 | 24 | empty |
| 3 | 82 | 0.35 | 0.75 | 24 | empty |
| 4 | 75 | 0.34 | 0.75 | 21 | empty |
Compared structures
- 5E91 · TGF-beta receptor type 2 kinase domain (E431A,R433A,E485A,K488A,R493A,R495A) in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P37173 · AlphaFold monomer V2.0 prediction for TGF-beta receptor type-2 (P37173) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P37173
- Elsewhere: RCSB PDB 5E91 · PDBe 5E91 · UniProt P37173
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