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MolNFT v1 · #15073 · protein

Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy

1MT9 · Protease retropepsin: “Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy”. X-ray diffraction, 1 ligand (PO4). MolNFT v1 #15073 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1MT9
Type
protein
Length
208 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protease retropepsin; P1-P6 gag substrate decapeptide
EC
3.4.23.16
UniProt
P03369
Ligands
PO4

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtease retropepsin (EC 3.4.23.16)protein994% helix, 57% strandP03369
PP1-P6 gag substrate decapeptideprotein100% helix, 40% strand—

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 6 copies · chains A, B

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

Interfaces

3 interfaces between chains.

  • A–B · 1875 Ų buried · 36 hydrogen bonds · protein-protein
  • B–P · 630 Ų buried · 14 hydrogen bonds · protein-protein
  • A–P · 489 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 1MT9 · Viability of a drug-resistant HIV-1 protease mutant: structural insights for better… · the same entry in another collection · chain A against A, TM-score 1.00

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