MolNFT v1 · #100092 · protein
Crystal structure of FLG22 in complex with the FLS2 and BAK1 ectodomains
4MN8 · Lrr receptor-like SERINE/THREONINE-protein kinase FLS2: “Crystal structure of FLG22 in complex with the FLS2 and BAK1 ectodomains”. X-ray diffraction, 2 ligands (NAG, SO4), 7 pockets (best druggability 0.62). MolNFT v1 #100092 on…
- PDB
- 4MN8
- Type
- protein
- Length
- 955 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lrr receptor-like SERINE/THREONINE-protein kinase FLS2; Brassinosteroid insensitive…
- EC
- 2.7.11.1, 2.7.10.1
- UniProt
- Q9FL28, Q94F62
- Ligands
- NAG, SO4
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lrr receptor-like SERINE/THREONINE-protein kinase FLS2 (EC 2.7.11.1) | protein | 759 | 20% helix, 19% strand | Q9FL28 |
| B | Brassinosteroid insensitive 1-associated receptor kinase 1 (EC 2.7.10.1, 2.7.11.1) | protein | 175 | 19% helix, 15% strand | Q94F62 |
| C | FLG22 | protein | 21 | 14% helix, 5% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, C, B
- SO4 · Sulfate ion · ion · 16 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 387 | 0.62 | 0.77 | 42 | SO4 |
| 2 | 111 | 0.60 | 0.87 | 26 | SO4 |
| 3 | 110 | 0.58 | 0.85 | 19 | empty |
| 4 | 134 | 0.50 | 0.80 | 28 | empty |
| 5 | 100 | 0.42 | 0.78 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1154 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 933 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 183 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 glycan, 3 disulfide (N-glycosylation, disulfide).
Compared structures
- 4MN8 · Crystal structure of flg22 in complex with the FLS2 and BAK1 ectodomains · the same entry in another collection · chain A against A, TM-score 1.00
- Q94F62 · AlphaFold monomer V2.0 prediction for brassinosteroid insensitive 1-associated receptor… · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q9FL28 · AlphaFold monomer V2.0 prediction for lrr receptor-like SERINE/THREONINE-protein kinase… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9FL28
- Every structure of UniProt Q94F62
- Elsewhere: RCSB PDB 4MN8 · PDBe 4MN8 · UniProt Q9FL28 · UniProt Q94F62
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.