MolNFT v1 · #107233 · protein
Apo mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4)
4U3Y: “Apo mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4)”. X-ray diffraction, 12 pockets (best druggability 0.83). MolNFT v1 #107233 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4U3Y
- Type
- protein
- Length
- 595 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase kinase kinase kinase 4
- EC
- 2.7.11.1
- UniProt
- O95819
- Pockets
- 12 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase kinase kinase kinase 4 (EC 2.7.11.1) | protein | 295 | 40% helix, 18% strand | O95819 |
| B | Mitogen-activated protein kinase kinase kinase kinase 4 (EC 2.7.11.1) | protein | 300 | 38% helix, 15% strand | O95819 |
Ligands and binding sites
- DMS · Dimethyl sulfoxide · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1053 | 0.83 | 0.84 | 91 | empty |
| 2 | 92 | 0.75 | 0.97 | 25 | empty |
| 3 | 357 | 0.66 | 0.80 | 33 | empty |
| 4 | 70 | 0.65 | 0.93 | 18 | empty |
| 5 | 70 | 0.46 | 0.82 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1663 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 4U3Y · Apo Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) · the same entry in another collection · chain A against A, TM-score 1.00
- O95819 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase… · a predicted model of the same protein · chain B against A, TM-score 0.88
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 O95819
- Elsewhere: RCSB PDB 4U3Y · PDBe 4U3Y · UniProt O95819
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