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MolNFT v1 · #173444 · protein

Cryo-EM structure of the green-light absorbing proteorhodopsin

7B03: “Cryo-EM structure of the green-light absorbing proteorhodopsin”. Electron microscopy, 1 ligand (RET), 20 pockets (best druggability 0.80). MolNFT v1 #173444 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7B03
Type
protein
Length
1,085 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proteorhodopsin
UniProt
Q6J4G7
Ligands
RET
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 1 distinct chain · 83% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, EProteorhodopsinprotein21783% helix, 0% strandQ6J4G7

Ligands and binding sites

  • RET · Retinal · ligand · 5 copies · chains A, B, C, D, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11460.800.9623RET
21540.790.9524RET
32110.790.9334RET
42170.790.9233RET
52030.780.9231RET

Interfaces

5 interfaces between chains.

  • D–E · 842 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 842 Ų buried · 4 hydrogen bonds · protein-protein
  • A–E · 842 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 835 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 830 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 cofactor (retinal Schiff base).

Compared structures

  • 7B03 · Cryo-EM structure of the green-light absorbing proteorhodopsin · the same entry in another collection · chain A against A, TM-score 1.00

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