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Orange species of bacteriorhodopsin from halobacterium salinarum

Analyse Orange species of bacteriorhodopsin from halobacterium salinarum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4MD1
Type
protein
Length
224 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriorhodopsin
UniProt
P02945
Ligands
L2P, SQL, RET
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacteriorhodopsinprotein22475% helix, 5% strandP02945

Ligands and binding sites

  • L2P · 2,3-di-phytanyl-glycerol · ligand · 18 copies · chains A
  • SQL · (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2, 6,10,14,18,22-hexaene · ligand · chains A
  • RET · Retinal · ligand · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.780.9724RET

Modifications

Observed in the structure: 1 cofactor (retinal Schiff base).

Compared structures

  • 4MD1 · Orange species of bacteriorhodopsin from Halobacterium salinarum · the same entry in another collection · chain A against A, TM-score 1.00
  • P02945 · AlphaFold monomer V2.0 prediction for bacteriorhodopsin (P02945) · a predicted model of the same protein · chain A against A, TM-score 0.99

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