MolNFT v1 · #27428 · protein
Bacteriorhodopsin crystallized in bicelles at room temperature
1XJI: “Bacteriorhodopsin crystallized in bicelles at room temperature”. X-ray diffraction, 5 ligands (D10, RET, D12), 1 pocket (best druggability 0.80). MolNFT v1 #27428 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1XJI
- Type
- protein
- Length
- 225 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacteriorhodopsin
- UniProt
- P02945
- Ligands
- D10, RET, D12, C14, CPS
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 78% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacteriorhodopsin | protein | 225 | 78% helix, 5% strand | P02945 |
Ligands and binding sites
- D10 · Decane · ligand · 6 copies · chains A
- RET · Retinal · ligand · chains A
- D12 · Dodecane · ligand · chains A
- C14 · Tetradecane · ligand · chains A
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains A
- OCT · N-octane · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 120 | 0.80 | 0.98 | 21 | RET |
Modifications
Observed in the structure: 1 cofactor (retinal Schiff base).
Compared structures
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 P02945
- Elsewhere: RCSB PDB 1XJI · PDBe 1XJI · UniProt P02945
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