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Lysophosphatidic acid receptor 1-gi complex bound to lpa

Analyse Lysophosphatidic acid receptor 1-gi complex bound to lpa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7TD0
Type
protein
Length
903 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysophosphatidic acid receptor 1; Guanine nucleotide-binding protein G(I)/G(S)/G(T)…
UniProt
Q92633, P62871, B2RSH2, P63212
Ligands
NKP
Pockets
7 · best druggability 0.83

Structure

electron microscopy · 4 distinct chains · 40% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
RLysophosphatidic acid receptor 1protein29073% helix, 0% strandQ92633
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3398% helix, 47% strandP62871
AGuanine nucleotide-binding protein G(I) subunit alpha-1protein21843% helix, 19% strandB2RSH2
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5657% helix, 0% strandP63212

Ligands and binding sites

  • NKP · (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate · ligand · chains R

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14260.830.9146NKP
28450.820.8565empty
34290.660.7949empty
44180.640.7860empty
51750.450.7430empty

Interfaces

3 interfaces between chains.

  • B–G · 2016 Ų buried · 8 hydrogen bonds · protein-protein
  • R–A · 1197 Ų buried · 8 hydrogen bonds · protein-protein
  • B–A · 1192 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 7TD0 · Lysophosphatidic acid receptor 1-Gi complex bound to LPA · the same entry in another collection · chain G against G, TM-score 1.00
  • P62871 · 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
  • Q92633 · AlphaFold monomer V2.0 prediction for lysophosphatidic acid receptor 1 (Q92633) · a predicted model of the same protein · chain R against A, TM-score 0.93
  • B2RSH2 · 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
  • P63212 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.71

Analyse

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