Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-6- methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-YL]ACETIC acid

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 21% strand (DSSP).

Ligands and binding sites

• EJ9 · (2S)-2-[2-(3,4-dihydro-2H-chromen-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino) phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid · ligand · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A
• PGE · Triethylene glycol · additive · chains A
• EDO · 1,2-ethanediol · additive · chains A

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

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

• 6LMI · Crystal structure of HIV-1 integrase catalytic core domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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• Every structure of UniProt P12497
• Elsewhere: RCSB PDB 6LMI · PDBe 6LMI · UniProt P12497