MolNFT v1 · #188797 · protein
Designed pentameric proton channel lqll
7UDZ · De novo designed pentameric proton channel lqll: “Designed pentameric proton channel lqll”. X-ray diffraction, 7 pockets (best druggability 0.73). MolNFT v1 #188797 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7UDZ
- Type
- protein
- Length
- 246 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- De novo designed pentameric proton channel lqll
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 92% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | De novo designed pentameric proton channel lqll | protein | 24 | 92% helix, 0% strand | — |
| B, C, E, G, H, J | De novo designed pentameric proton channel lqll | protein | 25 | 92% helix, 0% strand | — |
| D, I | De novo designed pentameric proton channel lqll | protein | 24 | 92% helix, 0% strand | — |
Ligands and binding sites
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains C, A, H, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.73 | 0.92 | 25 | empty |
| 2 | 123 | 0.73 | 0.91 | 25 | empty |
| 3 | 67 | 0.60 | 0.90 | 15 | empty |
| 4 | 218 | 0.59 | 0.79 | 21 | empty |
| 5 | 202 | 0.57 | 0.79 | 24 | empty |
Interfaces
19 interfaces between chains.
- C–D · 614 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 602 Ų buried · 0 hydrogen bonds · protein-protein
- G–H · 598 Ų buried · 1 hydrogen bond · protein-protein
- I–J · 598 Ų buried · 1 hydrogen bond · protein-protein
- F–G · 596 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 7UDZ · Designed pentameric proton channel LQLL · the same entry in another collection · chain B against B, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7UDZ · PDBe 7UDZ
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