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Orexin receptor 2 (OX2R) in complex with G protein and natural peptide-agonist orexin B (oxb)

Analyse Orexin receptor 2 (OX2R) in complex with G protein and natural peptide-agonist… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7L1U
Type
protein
Length
1,148 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Engineered guanine nucleotide-binding protein subunit alpha; Guanine nucleotide-binding…
UniProt
P62873, P59768, Q548Y0, O43612
Ligands
NH2
Pockets
10 · best druggability 0.81

Structure

electron microscopy · 6 distinct chains · 33% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEngineered guanine nucleotide-binding protein subunit alphaprotein22844% helix, 17% strand—
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3398% helix, 46% strandP62873
CGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5855% helix, 0% strandP59768
HSingle-chain antibody fv fragment (SVFV16)protein2333% helix, 45% strand—
RHypocretin receptor type 2protein28175% helix, 4% strandQ548Y0
LOrexinprotein90% helix, 0% strandO43612

Ligands and binding sites

  • NH2 · Amino group · ion · chains R, L

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

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17280.810.8556empty
29100.700.7581empty
33830.670.8054empty
41810.490.7619empty
51700.490.7722empty

Interfaces

7 interfaces between chains.

  • B–C · 2155 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1299 Ų buried · 8 hydrogen bonds · protein-protein
  • A–R · 1046 Ų buried · 8 hydrogen bonds · protein-protein
  • R–L · 852 Ų buried · 7 hydrogen bonds · protein-protein
  • A–H · 589 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 7L1U · Orexin Receptor 2 (OX2R) in Complex with G Protein and Natural Peptide-Agonist Orexin B… · the same entry in another collection · chain L against L, 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
  • 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 0.94
  • O43612 · AlphaFold monomer V2.0 prediction for orexin (O43612) · a predicted model of the same protein · chain L against A, TM-score 0.37

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