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HIV integrase in complex with compound-25

Analyse HIV integrase in complex with compound-25 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7T9O
Type
protein
Length
138 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Integrase
UniProt
Q76353
Ligands
GEI, SO4

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIntegraseprotein13852% helix, 22% strandQ76353

Ligands and binding sites

  • GEI · (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid · ligand · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Compared structures

  • 7T9O · HIV Integrase in complex with Compound-25 · the same entry in another collection · chain A against A, TM-score 1.00

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