Research workbench
Dual specificity mitogen-activated protein kinase kinase 7 in complex with pyrazolopyrimidine 1A
Analyse Dual specificity mitogen-activated protein kinase kinase 7 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QHO
- Type
- protein
- Length
- 275 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
- J3H
- Pockets
- 2 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity mitogen-activated protein kinase kinase 7 (EC 2.7.12.2) | protein | 275 | 40% helix, 19% strand | O14733 |
Ligands and binding sites
- J3H · 1-[(3~{R})-3-(4-azanylpyrazolo[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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 289 | 0.72 | 0.86 | 28 | J3H |
| 2 | 72 | 0.34 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6QHO · Dual specificity mitogen-activated protein kinase kinase 7 in complex with… · 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 6QHO · PDBe 6QHO · UniProt O14733
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