MolNFT v1 · #153353 · protein
High resolution crystal structure of human FLRT3 lrr domain in complex with mouse CIRL3 olfactomedin like domain
6JBU · Adhesion G protein-coupled receptor L3: “High resolution crystal structure of human FLRT3 lrr domain in complex with mouse CIRL3 olfactomedin like…”. X-ray diffraction, 3 ligands (NAG, NA, PO4), 3 pockets (best druggability 0.73).…
- PDB
- 6JBU
- Type
- protein
- Length
- 585 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adhesion G protein-coupled receptor L3; Leucine-rich repeat transmembrane protein FLRT3
- UniProt
- Q80TS3, Q9NZU0
- Ligands
- NAG, NA, PO4
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adhesion G protein-coupled receptor L3 | protein | 263 | 3% helix, 51% strand | Q80TS3 |
| B | Leucine-rich repeat transmembrane protein FLRT3 | protein | 322 | 10% helix, 18% strand | Q9NZU0 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B
- NA · Sodium ion · metal · 3 copies · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
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 | 899 | 0.73 | 0.78 | 75 | PO4, EDO |
| 2 | 149 | 0.41 | 0.74 | 26 | EDO |
| 3 | 61 | 0.29 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 893 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6JBU · High resolution crystal structure of human FLRT3 LRR domain in complex with mouse CIRL3… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NZU0 · AlphaFold monomer V2.0 prediction for leucine-rich repeat transmembrane protein FLRT3… · a predicted model of the same protein · chain B against A, TM-score 0.99
- Q80TS3 · AlphaFold monomer V2.0 prediction for adhesion G protein-coupled receptor L3 (Q80TS3) · 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 Q80TS3
- Every structure of UniProt Q9NZU0
- Elsewhere: RCSB PDB 6JBU · PDBe 6JBU · UniProt Q80TS3 · UniProt Q9NZU0
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