Crystal structure of the human leukotriene B4 receptor 1 in complex with selective antagonist mk-D-046

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 10% strand (DSSP).

Ligands and binding sites

• VRJ · N-(tert-butylsulfonyl)-4-fluoro-2-{(3S,4R)-4-hydroxy-3-[(pyridin-2-yl)methyl]-3,4-dihydro-2H-1-benzopyran-7-yl}benzamide · ligand · chains A
• FMN · Flavin mononucleotide · ligand · chains A
• OLA · Oleic acid · ligand · chains A
• NA · Sodium ion · metal · chains A
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A
• 1PE · Pentaethylene glycol · additive · chains A
• 2PE · Nonaethylene glycol · additive · chains A
• P6G · Hexaethylene glycol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 7K15 · Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective… · the same entry in another collection · chain A against A, TM-score 1.00
• Q15722 · AlphaFold monomer V2.0 prediction for leukotriene B4 receptor 1 (Q15722) · a predicted model of the same protein · chain A against A, TM-score 0.62
• P00323 · AlphaFold monomer V2.0 prediction for flavodoxin (P00323) · a predicted model of the same protein · chain A against A, TM-score 0.32

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q15722
• Every structure of UniProt P00323
• Elsewhere: RCSB PDB 7K15 · PDBe 7K15 · UniProt Q15722 · UniProt P00323