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MolNFT v1 · #152754 · protein

Crystal structure of thermoplasmatales archaeon heliorhodopsin

6IS6: “Crystal structure of thermoplasmatales archaeon heliorhodopsin”. X-ray diffraction, 1 ligand (RET), 1 pocket (best druggability 0.75). MolNFT v1 #152754 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6IS6
Type
protein
Length
250 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heliorhodopsin
UniProt
A0A151EDA9
Ligands
RET
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeliorhodopsinprotein25073% helix, 8% strandA0A151EDA9

Ligands and binding sites

  • RET · Retinal · ligand · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 14 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11910.750.9029OLC, RET

Modifications

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

Compared structures

  • 6IS6 · Crystal structure of Thermoplasmatales archaeon heliorhodopsin · the same entry in another collection · chain A against A, TM-score 1.00

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