MolNFT v1 · #83998 · protein
The structure of MAP2K7 in complex with 5Z-7-oxozeaenol
3WZU · Dual specificity mitogen-activated protein kinase kinase 7: “The structure of MAP2K7 in complex with 5Z-7-oxozeaenol”. X-ray diffraction, 1 ligand (1FM), 3 pockets (best druggability 0.63). MolNFT v1 #83998 on GenesisL1: 3D…
- PDB
- 3WZU
- Type
- protein
- Length
- 270 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
- Ligands
- 1FM
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity mitogen-activated protein kinase kinase 7 (EC 2.7.12.2) | protein | 270 | 32% helix, 17% strand | O14733 |
Ligands and binding sites
- 1FM · (3S,5Z,8S,9S,11E)-8,9,16-trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione · ligand · 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 | 275 | 0.63 | 0.80 | 26 | 1FM |
| 2 | 120 | 0.45 | 0.77 | 25 | empty |
| 3 | 72 | 0.29 | 0.73 | 18 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3WZU · THE STRUCTURE OF MAP2K7 IN COMPLEX WITH 5Z-7-oxozeaenol · 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 0.94
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 3WZU · PDBe 3WZU · UniProt O14733
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