MolNFT v1 · #184886 · protein
Structure of homomeric LRRC8A volume-regulated anion channel in complex with synthetic nanobody SB4 at 1:0.5 ratio
7P60 · Volume-regulated anion channel subunit LRRC8A: “Structure of homomeric LRRC8A volume-regulated anion channel in complex with synthetic nanobody SB4 at 1:0.5…”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1…
- PDB
- 7P60
- Type
- protein
- Length
- 4,680 residues
- Chains
- 9
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Volume-regulated anion channel subunit LRRC8A; Synthetic nanobody SB4
- UniProt
- Q80WG5
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 2 distinct chains · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Volume-regulated anion channel subunit LRRC8A | protein | 718 | 43% helix, 12% strand | Q80WG5 |
| G, I, H | Synthetic nanobody SB4 | protein | 124 | 2% helix, 52% strand | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1199 | 0.85 | 0.86 | 125 | empty |
| 2 | 96 | 0.77 | 0.97 | 24 | empty |
| 3 | 92 | 0.77 | 0.97 | 21 | empty |
| 4 | 88 | 0.75 | 0.96 | 23 | empty |
| 5 | 65 | 0.75 | 0.98 | 18 | empty |
Interfaces
12 interfaces between chains.
- C–D · 2840 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 2820 Ų buried · 24 hydrogen bonds · protein-protein
- E–F · 2709 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 1261 Ų buried · 11 hydrogen bonds · protein-protein
- A–F · 1246 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 21 disulfide (disulfide).
Compared structures
- 7P60 · Structure of homomeric LRRC8A Volume-Regulated Anion Channel in complex with synthetic… · the same entry in another collection · chain I against I, TM-score 1.00
- Q80WG5 · AlphaFold monomer V2.0 prediction for volume-regulated anion channel subunit LRRC8A… · a predicted model of the same protein · chain A against A, TM-score 0.90
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 Q80WG5
- Elsewhere: RCSB PDB 7P60 · PDBe 7P60 · UniProt Q80WG5
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