MolNFT v1 · #139807 · protein
Structure of the MOB1-NDR2 complex
5XQZ · Mob kinase activator 1A: “Structure of the MOB1-NDR2 complex”. X-ray diffraction, 1 ligand (ZN), 7 pockets (best druggability 0.77). MolNFT v1 #139807 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5XQZ
- Type
- protein
- Length
- 504 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mob kinase activator 1A; SERINE/THREONINE-protein kinase 38-like
- EC
- 2.7.11.1
- UniProt
- Q9H8S9, Q9Y2H1
- Ligands
- ZN
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 64% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mob kinase activator 1A | protein | 178 | 56% helix, 3% strand | Q9H8S9 |
| C | SERINE/THREONINE-protein kinase 38-like (EC 2.7.11.1) | protein | 65 | 91% helix, 0% strand | Q9Y2H1 |
| B | Mob kinase activator 1A | protein | 193 | 53% helix, 3% strand | Q9H8S9 |
| D | SERINE/THREONINE-protein kinase 38-like (EC 2.7.11.1) | protein | 68 | 88% helix, 0% strand | Q9Y2H1 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1005 | 0.77 | 0.79 | 91 | empty |
| 2 | 285 | 0.66 | 0.82 | 40 | GOL |
| 3 | 133 | 0.44 | 0.76 | 22 | empty |
| 4 | 90 | 0.42 | 0.79 | 15 | empty |
| 5 | 89 | 0.37 | 0.76 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1382 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 1348 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 508 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5XQZ · Structure of the MOB1-NDR2 complex · the same entry in another collection · chain D against D, TM-score 1.00
- Q9H8S9 · AlphaFold monomer V2.0 prediction for mob kinase activator 1A (Q9H8S9) · a predicted model of the same protein · chain A against A, TM-score 0.96
- Q9Y2H1 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 38-like (Q9Y2H1) · a predicted model of the same protein · chain C against A, TM-score 0.84
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 Q9H8S9
- Every structure of UniProt Q9Y2H1
- Elsewhere: RCSB PDB 5XQZ · PDBe 5XQZ · UniProt Q9H8S9 · UniProt Q9Y2H1
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