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FH210 bound mu opioid receptor-gi protein complex

Analyse FH210 bound mu opioid receptor-gi protein complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SCG
Type
protein
Length
1,121 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1; Guanine…
UniProt
P62873, P59768, P42866, P63096
Ligands
8RI
Pockets
13 · best druggability 0.82

Structure

electron microscopy · 5 distinct chains · 33% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3365% helix, 49% strandP62873
CGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5351% helix, 0% strandP59768
DMu-type opioid receptorprotein28380% helix, 4% strandP42866
AGuanine nucleotide-binding protein G(I) subunit alpha-1protein21744% helix, 17% strandP63096
ESCFV16protein2323% helix, 46% strand—

Ligands and binding sites

  • 8RI · (2E)-N-[(2S)-2-(dimethylamino)-3-(4-hydroxyphenyl) propyl]-3-(naphthalen-1-yl)prop-2-enamide · ligand · chains D

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

Pockets

13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19230.820.8460empty
27190.760.81478RI
36150.650.7564empty
42950.570.7737empty
52190.570.7934empty

Interfaces

5 interfaces between chains.

  • B–C · 2074 Ų buried · 7 hydrogen bonds · protein-protein
  • D–A · 1207 Ų buried · 4 hydrogen bonds · protein-protein
  • B–A · 1134 Ų buried · 11 hydrogen bonds · protein-protein
  • A–E · 528 Ų buried · 4 hydrogen bonds · protein-protein
  • B–E · 349 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 7SCG · FH210 bound Mu Opioid Receptor-Gi Protein Complex · the same entry in another collection · chain E against E, TM-score 1.00
  • P62873 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P42866 · AlphaFold monomer V2.0 prediction for mu-type opioid receptor (P42866) · a predicted model of the same protein · chain D against A, TM-score 0.95
  • P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain C against A, TM-score 0.88
  • P63096 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.81

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