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Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and FAB1

Analyse Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and FAB1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7MTA
Type
protein
Length
1,108 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rhodopsin kinase GRK1; FAB1 heavy chain; FAB1 light chain; Rhodopsin
EC
2.7.11.14
UniProt
P28327, P02699
Ligands
SGV, RET
Pockets
13 · best druggability 0.86

Structure

electron microscopy · 4 distinct chains · 35% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
GRhodopsin kinase GRK1 (EC 2.7.11.14)protein34638% helix, 14% strandP28327
HFAB1 heavy chainprotein2237% helix, 52% strand—
LFAB1 light chainprotein2155% helix, 49% strand—
RRhodopsinprotein32470% helix, 4% strandP02699

Ligands and binding sites

  • SGV · Sangivamycin · ligand · chains G
  • RET · Retinal · ligand · chains R

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

Pockets

13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14780.860.9247empty
21940.830.9632RET
36950.750.8155SGV
4560.520.8818empty
51220.470.7917empty

Interfaces

4 interfaces between chains.

  • H–L · 2224 Ų buried · 22 hydrogen bonds · protein-protein
  • G–R · 1766 Ų buried · 16 hydrogen bonds · protein-protein
  • G–H · 600 Ų buried · 2 hydrogen bonds · protein-protein
  • G–L · 86 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 5 disulfide, 1 cofactor (disulfide, retinal Schiff base).

Compared structures

  • 7MTA · Rhodopsin kinase (GRK1)-S5E/S488E/T489E in complex with rhodopsin and Fab1 · the same entry in another collection · chain G against G, TM-score 1.00
  • P28327 · AlphaFold monomer V2.0 prediction for rhodopsin kinase GRK1 (P28327) · a predicted model of the same protein · chain G against A, TM-score 0.89

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