Research workbench
Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) bound to amppnp
Analyse Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) bound to amppnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U40
- Type
- protein
- Length
- 594 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
- Ligands
- ANP, MG
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 17% 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 | 39% helix, 17% strand | O95819 |
| B | Mitogen-activated protein kinase kinase kinase kinase 4 (EC 2.7.11.1) | protein | 299 | 37% helix, 17% strand | O95819 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 739 | 0.86 | 0.89 | 90 | ANP, MG |
| 2 | 421 | 0.81 | 0.89 | 59 | empty |
| 3 | 315 | 0.71 | 0.84 | 35 | empty |
| 4 | 126 | 0.61 | 0.86 | 30 | empty |
| 5 | 50 | 0.47 | 0.86 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1627 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4U40 · Mitogen-activated protein kinase kinase kinase kinase 4 (MAP4K4) Bound to AMPPNP · 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 A against A, TM-score 0.93
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 4U40 · PDBe 4U40 · UniProt O95819
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