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MolNFT v1 · #187560 · protein

Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, and an extracellular Fab

7SK7: “Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist CCX662, and an…”. Electron microscopy, 2 ligands (GJ9, CLR). MolNFT v1 #187560 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7SK7
Type
protein
Length
854 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P25106, P48061
Ligands
GJ9, CLR

Structure

electron microscopy · 5 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein267—P25106
B—protein62—P48061
C—protein211——
D—protein211——
K—protein103——

Ligands and binding sites

  • GJ9 · (1R)-4-[7-(3-carboxypropoxy)-6-methylquinolin-8-yl]-1-{[2-(4-hydroxypiperidin-1-yl)-1,3-thiazol-4-yl]methyl}-1,4-diazepan-1-ium · ligand · chains A
  • CLR · Cholesterol · ligand · chains A

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

Compared structures

  • 7SK7 · Cryo-EM structure of human ACKR3 in complex with CXCL12, a small molecule partial agonist… · the same entry in another collection · chain B against B, TM-score 1.00
  • P25106 · AlphaFold monomer V2.0 prediction for atypical chemokine receptor 3 (P25106) · a predicted model of the same protein · chain A against A, TM-score 0.94
  • P48061 · AlphaFold monomer V2.0 prediction for stromal cell-derived factor 1 (P48061) · a predicted model of the same protein · chain B against A, TM-score 0.87

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