MolNFT v1 · #106645 · protein
Mechanistic insights from the crystal structure of an inward proton- transporting anabaena sensory rhodopsin mutant
4TL3: “Mechanistic insights from the crystal structure of an inward proton- transporting anabaena sensory rhodopsin…”. X-ray diffraction, 2 ligands (PEE, RET), 4 pockets (best druggability 0.80). MolNFT v1 #106645 on GenesisL1: 3D…
- PDB
- 4TL3
- Type
- protein
- Length
- 433 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anabaena sensory rhodopsin
- UniProt
- Q8YSC4
- Ligands
- PEE, RET
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 84% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anabaena sensory rhodopsin | protein | 216 | 84% helix, 0% strand | Q8YSC4 |
| B | Anabaena sensory rhodopsin | protein | 217 | 84% helix, 0% strand | Q8YSC4 |
Ligands and binding sites
- PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine · ligand · 35 copies · chains A, B
- RET · Retinal · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.80 | 0.97 | 22 | RET |
| 2 | 118 | 0.78 | 0.96 | 23 | RET |
| 3 | 293 | 0.53 | 0.74 | 35 | PEE |
| 4 | 272 | 0.53 | 0.74 | 25 | PEE |
Interfaces
1 interface between chains.
- A–B · 798 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 cofactor (retinal Schiff base).
Compared structures
- 4TL3 · Mechanistic insights from the crystal structure of an inward proton-transporting Anabaena… · the same entry in another collection · chain A against A, 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
- Every structure of UniProt Q8YSC4
- Elsewhere: RCSB PDB 4TL3 · PDBe 4TL3 · UniProt Q8YSC4
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