MolNFT v1 · #163560 · protein
Crystal structure of the lrr ectodomain of the plant membrane receptor kinase GASSHO1/SCHENGEN3 from arabidopsis thaliana in complex with casparian strip integrity factor 2.
6S6Q · Lrr receptor-like SERINE/THREONINE-protein kinase GSO1: “Crystal structure of the lrr ectodomain of the plant membrane receptor kinase GASSHO1/SCHENGEN3 from…”. X-ray diffraction, 2 ligands (NAG, BMA), 3 pockets (best druggability…
- PDB
- 6S6Q
- Type
- protein
- Length
- 1,708 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lrr receptor-like SERINE/THREONINE-protein kinase GSO1; Protein casparian strip integrity…
- EC
- 2.7.11.1
- UniProt
- C0LGQ5, O65684
- Ligands
- NAG, BMA
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Lrr receptor-like SERINE/THREONINE-protein kinase GSO1 (EC 2.7.11.1) | protein | 833 | 19% helix, 24% strand | C0LGQ5 |
| C, D | Protein casparian strip integrity factor 2 | protein | 21 | 0% helix, 0% strand | O65684 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 33 copies · chains A, C, B, D
- BMA · beta-D-mannopyranose · sugar · 3 copies
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 | 339 | 0.52 | 0.73 | 40 | empty |
| 2 | 156 | 0.50 | 0.78 | 36 | empty |
| 3 | 138 | 0.46 | 0.77 | 34 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1374 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 1367 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 174 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 27 glycan, 6 disulfide, 2 modified (N-glycosylation, disulfide, sulfation).
Compared structures
- 6S6Q · Crystal structure of the LRR ectodomain of the plant membrane receptor kinase… · the same entry in another collection · chain D against D, TM-score 1.00
- C0LGQ5 · 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 0.97
- O65684 · AlphaFold monomer V2.0 prediction for protein casparian strip integrity factor 2 (O65684) · a predicted model of the same protein · chain D against A, TM-score 0.22
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 C0LGQ5
- Every structure of UniProt O65684
- Elsewhere: RCSB PDB 6S6Q · PDBe 6S6Q · UniProt C0LGQ5 · UniProt O65684
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