MolNFT v1 · #184605 · protein
Protein kinase MKK7 in complex with methoxycyclohexyl-substituted indazole
7OVL · Dual specificity mitogen-activated protein kinase kinase 7: “Protein kinase MKK7 in complex with methoxycyclohexyl-substituted indazole”. X-ray diffraction, 1 ligand (1XZ), 3 pockets (best druggability 0.59). MolNFT v1 #184605 on…
- PDB
- 7OVL
- Type
- protein
- Length
- 279 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
- 1XZ
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 41% 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 | 279 | 41% helix, 18% strand | O14733 |
Ligands and binding sites
- 1XZ · 3-(2~{H}-indazol-3-yl)-~{N}-[[1-[(1~{R},2~{R})-2-methoxycyclohexyl]-1,2,3-triazol-4-yl]methyl]-5-(propanoylamino)benzamide · 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 | 338 | 0.59 | 0.77 | 35 | 1XZ |
| 2 | 56 | 0.28 | 0.74 | 18 | empty |
| 3 | 54 | 0.27 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 7OVL · Protein kinase MKK7 in complex with methoxycyclohexyl-substituted indazole · 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 0.92
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 7OVL · PDBe 7OVL · UniProt O14733
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