MolNFT v1 · #158635 · protein

Apo-LRRC8A in MSP2N2 nanodisc constricted state

6O00 · Volume-regulated anion channel subunit LRRC8A: “Apo-LRRC8A in MSP2N2 nanodisc constricted state”. Electron microscopy, 20 pockets (best druggability 0.78). MolNFT v1 #158635 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6O00
Type: protein
Length: 1,878 residues
Chains: 6
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Volume-regulated anion channel subunit LRRC8A
UniProt: Q80WG5
Pockets: 20 · best druggability 0.78

Structure

electron microscopy · 1 distinct chain · 68% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	Volume-regulated anion channel subunit LRRC8A	protein	313	68% helix, 5% strand	Q80WG5

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1023	0.78	0.79	102	empty
2	428	0.77	0.86	48	empty
3	840	0.76	0.79	103	empty
4	834	0.74	0.78	88	empty
5	770	0.74	0.79	80	empty

Interfaces

9 interfaces between chains.

A–B · 1592 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 1590 Å² buried · 12 hydrogen bonds · protein-protein
A–F · 1556 Å² buried · 8 hydrogen bonds · protein-protein
D–E · 1552 Å² buried · 8 hydrogen bonds · protein-protein
E–F · 1529 Å² buried · 8 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 disulfide (disulfide).

Compared structures

6O00 · apo-LRRC8A in MSP2N2 nanodisc constricted state · the same entry in another collection · chain C against C, 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 0.96

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 6O00 · PDBe 6O00 · UniProt Q80WG5

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