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MolNFT v1 · #105195 · protein

Crystal structure of human LGR4 and RSPO1

4QXF · Leucine-rich repeat-containing G-protein coupled receptor…: “Crystal structure of human LGR4 and RSPO1”. X-ray diffraction, 4 pockets (best druggability 0.71). MolNFT v1 #105195 on GenesisL1: 3D structure, binding sites and pockets…

PDB
4QXF
Type
protein
Length
758 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Leucine-rich repeat-containing G-protein coupled receptor 4, variable lymphocyte receptor…
UniProt
Q9BXB1, Q4G1L2, Q2MKA7
Pockets
4 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 6% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALeucine-rich repeat-containing G-protein coupled receptor 4, variable lymphocyte receptor Bprotein3007% helix, 17% strandQ9BXB1, Q4G1L2
BLeucine-rich repeat-containing G-protein coupled receptor 4, variable lymphocyte receptor Bprotein3017% helix, 17% strandQ9BXB1, Q4G1L2
ER-spondin-1protein780% helix, 45% strandQ2MKA7
CR-spondin-1protein790% helix, 44% strandQ2MKA7

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16450.710.7869empty
24170.690.8137empty
31180.390.7523empty
41050.360.7427empty

Interfaces

3 interfaces between chains.

  • B–E · 825 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 377 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 191 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 17 disulfide (disulfide).

Compared structures

  • 4QXF · crystal structure of human LGR4 and Rspo1 · the same entry in another collection · chain C against C, TM-score 1.00
  • Q2MKA7 · AlphaFold monomer V2.0 prediction for R-spondin-1 (Q2MKA7) · a predicted model of the same protein · chain E against A, TM-score 0.93
  • Q9BXB1 · AlphaFold monomer V2.0 prediction for leucine-rich repeat-containing G-protein coupled… · a predicted model of the same protein · chain A against A, TM-score 0.92

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