MolNFT v1 · #163030 · protein
Steady-state-smx dark state structure of bacteriorhodopsin
6RQP: “Steady-state-smx dark state structure of bacteriorhodopsin”. X-ray diffraction, 2 ligands (LI1, RET), 1 pocket (best druggability 0.80). MolNFT v1 #163030 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6RQP
- Type
- protein
- Length
- 229 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacteriorhodopsin
- UniProt
- P02945
- Ligands
- LI1, RET
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 76% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacteriorhodopsin | protein | 229 | 76% helix, 5% strand | P02945 |
Ligands and binding sites
- LI1 · 1-[2,6,10.14-tetramethyl-hexadecan-16-yl]-2-[2,10,14-trimethylhexadecan-16-yl]glycerol · ligand · 4 copies · chains A
- RET · Retinal · ligand · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · 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 | 20 | 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 6RQP · PDBe 6RQP · UniProt P02945
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