MolNFT v1 · #114116 · protein
A crucial role of CYS218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7
5B2L · Dual specificity mitogen-activated protein kinase kinase 7: “A crucial role of CYS218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7”. X-ray diffraction, 3 pockets (best druggability 0.64). MolNFT v1 #114116…
- PDB
- 5B2L
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity mitogen-activated protein kinase kinase 7
- EC
- 2.7.12.2
- UniProt
- O14733
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity mitogen-activated protein kinase kinase 7 (EC 2.7.12.2) | protein | 288 | 42% helix, 18% strand | O14733 |
Ligands and binding sites
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A
- GOL · Glycerol · additive · 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 | 293 | 0.64 | 0.80 | 26 | empty |
| 2 | 61 | 0.30 | 0.75 | 14 | empty |
| 3 | 54 | 0.26 | 0.73 | 14 | empty |
Compared structures
- 5B2L · A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of… · the same entry in another collection · chain A against A, TM-score 1.00
- O14733 · AlphaFold monomer V2.0 prediction for dual specificity mitogen- activated protein kinase… · a predicted model of the same protein · chain A against A, TM-score 0.89
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 O14733
- Elsewhere: RCSB PDB 5B2L · PDBe 5B2L · UniProt O14733
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