MolNFT v1 · #81197 · protein
Crystal structure of SNRK2.6 in complex with HAB1
3UJG · SERINE/THREONINE-protein kinase SRK2E: “Crystal structure of SNRK2.6 in complex with HAB1”. X-ray diffraction, 2 ligands (MG, SO4), 7 pockets (best druggability 0.72). MolNFT v1 #81197 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3UJG
- Type
- protein
- Length
- 605 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase SRK2E; Protein phosphatase 2C 16
- EC
- 2.7.11.1, 3.1.3.16
- UniProt
- Q940H6, Q9CAJ0
- Ligands
- MG, SO4
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase SRK2E (EC 2.7.11.1) | protein | 290 | 40% helix, 14% strand | Q940H6 |
| B | Protein phosphatase 2C 16 (EC 3.1.3.16) | protein | 315 | 30% helix, 28% strand | Q9CAJ0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 699 | 0.72 | 0.79 | 74 | SO4, MG |
| 2 | 189 | 0.48 | 0.76 | 28 | empty |
| 3 | 149 | 0.47 | 0.77 | 29 | empty |
| 4 | 93 | 0.45 | 0.80 | 18 | empty |
| 5 | 86 | 0.42 | 0.79 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1221 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3UJG · Crystal structure of SnRK2.6 in complex with HAB1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9CAJ0 · AlphaFold monomer V2.0 prediction for protein phosphatase 2C 16 (Q9CAJ0) · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q940H6 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase SRK2E (Q940H6) · a predicted model of the same protein · chain A 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 Q940H6
- Every structure of UniProt Q9CAJ0
- Elsewhere: RCSB PDB 3UJG · PDBe 3UJG · UniProt Q940H6 · UniProt Q9CAJ0
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