MolNFT v1 · #170688 · protein
Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix
6YG1 · Dual specificity mitogen-activated protein kinase kinase 7: “Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the N-terminal helix”. X-ray diffraction, 1 ligand (NA), 17 pockets (best druggability…
- PDB
- 6YG1
- Type
- protein
- Length
- 936 residues
- Chains
- 3
- 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
- NA
- Pockets
- 17 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 43% 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 | 314 | 44% helix, 18% strand | O14733 |
| B | Dual specificity mitogen-activated protein kinase kinase 7 (EC 2.7.12.2) | protein | 307 | 43% helix, 19% strand | O14733 |
| C | Dual specificity mitogen-activated protein kinase kinase 7 (EC 2.7.12.2) | protein | 315 | 44% helix, 18% strand | O14733 |
Ligands and binding sites
- NA · Sodium ion · metal · 4 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 23 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1095 | 0.78 | 0.80 | 80 | EDO |
| 2 | 519 | 0.66 | 0.77 | 54 | empty |
| 3 | 361 | 0.65 | 0.79 | 35 | empty |
| 4 | 118 | 0.64 | 0.88 | 19 | EDO |
| 5 | 408 | 0.62 | 0.77 | 42 | empty |
Interfaces
3 interfaces between chains.
- B–C · 586 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 421 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 331 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6YG1 · Crystal structure of MKK7 (MAP2K7) in an active state, allosterically triggered by the… · 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 B against A, TM-score 0.88
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 6YG1 · PDBe 6YG1 · UniProt O14733
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