MolNFT v1 · #161489 · protein
Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1H
6QG4 · Dual specificity mitogen-activated protein kinase kinase 7: “Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1H”. X-ray diffraction, 1 ligand (J0E), 1 pocket (best druggability 0.62).…
- PDB
- 6QG4
- Type
- protein
- Length
- 272 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
- J0E
- Pockets
- 1 · best druggability 0.62
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 | 272 | 41% helix, 18% strand | O14733 |
Ligands and binding sites
- J0E · 1-[(3~{R})-3-[4-azanyl-3-(4-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 329 | 0.62 | 0.78 | 30 | J0E |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6QG4 · Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine… · 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 0.91
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 6QG4 · PDBe 6QG4 · UniProt O14733
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