GL1X · GenesisL1 explorer

MolNFT v1 · #180499 · protein

HIV integrase core domain (in) in complex with dimer-spanning ligand

7L1P: “HIV integrase core domain (in) in complex with dimer-spanning ligand”. X-ray diffraction, 3 ligands (R2A, SO4, IOD). MolNFT v1 #180499 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7L1P
Type
protein
Length
274 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q76353
Ligands
R2A, SO4, IOD

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein136—Q76353
B—protein138—Q76353

Ligands and binding sites

  • R2A · (2-{[3-(4-{2-[(3-{[3-(carboxymethyl)-5-methyl-1-benzofuran-2-yl]ethynyl}benzene-1-carbonyl) amino]ethyl}piperazine-1-carbonyl)phenyl]ethynyl}-5-methyl-1-benzofuran-3-yl)acetic acid · ligand · chains A, B
  • SO4 · Sulfate ion · ion · 7 copies · chains A, B
  • IOD · Iodide ion · ion · 6 copies · chains A, B

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

Compared structures

  • 7L1P · HIV Integrase Core domain (IN) in complex with dimer-spanning ligand · the same entry in another collection · chain A against A, TM-score 1.00

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