MolNFT v1 · #173538 · protein
MST3 in complex with MRIA11
7B33 · SERINE/THREONINE-protein kinase 24: “MST3 in complex with MRIA11”. X-ray diffraction, 1 ligand (SQE), 3 pockets (best druggability 0.69). MolNFT v1 #173538 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7B33
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 24
- EC
- 2.7.11.1
- UniProt
- Q9Y6E0
- Ligands
- SQE
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 24 (EC 2.7.11.1) | protein | 264 | 41% helix, 19% strand | Q9Y6E0 |
Ligands and binding sites
- SQE · 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.69 | 0.84 | 33 | SQE |
| 2 | 58 | 0.40 | 0.81 | 18 | empty |
| 3 | 62 | 0.39 | 0.80 | 18 | 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 Q9Y6E0
- Elsewhere: RCSB PDB 7B33 · PDBe 7B33 · UniProt Q9Y6E0
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