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MolNFT v1 · #146493 · protein

HIV-1 protease with mutation L76V in complex with grl-5010 (gem- difluoro-bis-tetrahydrofuran as P2 ligand)

6DJ7: “HIV-1 protease with mutation L76V in complex with grl-5010 (gem- difluoro-bis-tetrahydrofuran as P2 ligand)”. X-ray diffraction, 3 ligands (G10, NA, CL). MolNFT v1 #146493 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6DJ7
Type
protein
Length
198 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q5RZ08
Ligands
G10, NA, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein99—Q5RZ08

Ligands and binding sites

  • G10 · (3r,3as,6as)-4,4-difluorohexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl) amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate · ligand · chains A, B
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B
  • ACT · Acetate ion · additive · 2 copies · chains B

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

Compared structures

  • 6DJ7 · HIV-1 protease with mutation L76V in complex with GRL-5010… · the same entry in another collection · chain A against A, TM-score 1.00

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