MolNFT v1 · #104000 · protein
Crystal structure of haloarcula marismortui bacteriorhodopsin I D94N mutant
4PXK: “Crystal structure of haloarcula marismortui bacteriorhodopsin I D94N mutant”. X-ray diffraction, 3 ligands (LFA, RET, SO4), 1 pocket (best druggability 0.80). MolNFT v1 #104000 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4PXK
- Type
- protein
- Length
- 236 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacteriorhodopsin
- UniProt
- Q5UXY6
- Ligands
- LFA, RET, SO4
- Pockets
- 1 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacteriorhodopsin | protein | 236 | 74% helix, 5% strand | Q5UXY6 |
Ligands and binding sites
- LFA · Eicosane · ligand · 19 copies · chains A
- RET · Retinal · ligand · chains A
- SO4 · Sulfate ion · ion · 2 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 | 122 | 0.80 | 0.97 | 23 | RET |
Modifications
Observed in the structure: 1 cofactor (retinal Schiff base).
Compared structures
- 4PXK · Crystal structure of Haloarcula marismortui bacteriorhodopsin I D94N mutant · the same entry in another collection · chain A against A, TM-score 1.00
- Q5UXY6 · AlphaFold monomer V2.0 prediction for bacteriorhodopsin-I (Q5UXY6) · a predicted model of the same protein · 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 Q5UXY6
- Elsewhere: RCSB PDB 4PXK · PDBe 4PXK · UniProt Q5UXY6
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