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Wild-type HIV-1 protease in complex with lopinavir

Analyse Wild-type HIV-1 protease in complex with lopinavir in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DJ1
Type
protein
Length
198 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q5RZ08
Ligands
AB1, NA, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein99—Q5RZ08

Ligands and binding sites

  • AB1 · N-{1-benzyl-4-[2-(2,6-dimethyl-phenoxy)-acetylamino]-3-hydroxy-5-phenyl-pentyl}-3-methyl-2-(2-oxo-tetrahydro-pyrimidin-1-yl)-butyramide · ligand · chains A, B
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 3 copies · chains A, B

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

Compared structures

  • 6DJ1 · Wild-type HIV-1 protease in complex with Lopinavir · the same entry in another collection · chain A against A, TM-score 1.00

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