MolNFT v1 · #107444 · protein
Mrck beta in complex with ADP
4UAK · SERINE/THREONINE-protein kinase mrck beta: “Mrck beta in complex with ADP”. X-ray diffraction, 3 ligands (ADP, MG, CL), 5 pockets (best druggability 0.71). MolNFT v1 #107444 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4UAK
- Type
- protein
- Length
- 404 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase mrck beta
- EC
- 2.7.11.1
- UniProt
- Q9Y5S2
- Ligands
- ADP, MG, CL
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase mrck beta (EC 2.7.11.1) | protein | 404 | 42% helix, 14% strand | Q9Y5S2 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 442 | 0.71 | 0.82 | 51 | ADP, MG, EDO |
| 2 | 209 | 0.58 | 0.80 | 25 | empty |
| 3 | 89 | 0.37 | 0.76 | 18 | empty |
| 4 | 72 | 0.35 | 0.76 | 15 | empty |
| 5 | 94 | 0.33 | 0.74 | 19 | 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 Q9Y5S2
- Elsewhere: RCSB PDB 4UAK · PDBe 4UAK · UniProt Q9Y5S2
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