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MolNFT v1 · #143378 · protein

Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein

6AXT: “Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein”. X-ray diffraction, 2 ligands (IOD, CL), 2 pockets (best druggability 0.36). MolNFT v1 #143378 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6AXT
Type
protein
Length
217 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HIV-1 capsid protein
UniProt
B6DRA0
Ligands
IOD, CL
Pockets
2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHIV-1 capsid proteinprotein21760% helix, 2% strandB6DRA0

Ligands and binding sites

  • IOD · Iodide ion · ion · 9 copies · chains A
  • CL · Chloride ion · ion · 6 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.360.7816IOD
2560.310.7615empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6AXT · Structure of the T58S/T107I/P122A mutant of the HIV-1 capsid protein · the same entry in another collection · chain A against A, TM-score 1.00

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