MolNFT v1 · #170692 · protein
Crystal structure of MKK7 (MAP2K7) in complex with ASC69
6YG5 · Dual specificity mitogen-activated protein kinase kinase 7: “Crystal structure of MKK7 (MAP2K7) in complex with ASC69”. X-ray diffraction, 1 ligand (IHH), 3 pockets (best druggability 0.67). MolNFT v1 #170692 on GenesisL1: 3D…
- PDB
- 6YG5
- Type
- protein
- Length
- 262 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
- IHH
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 42% 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 | 262 | 42% helix, 17% strand | O14733 |
Ligands and binding sites
- IHH · [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl) amino]quinazolin-2-yl}amino)phenyl]acetonitrile · 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 | 395 | 0.67 | 0.80 | 47 | IHH |
| 2 | 99 | 0.34 | 0.73 | 17 | empty |
| 3 | 69 | 0.32 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 6YG5 · Crystal structure of MKK7 (MAP2K7) in complex with ASC69 · 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 6YG5 · PDBe 6YG5 · UniProt O14733
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