GL1X · GenesisL1 explorer

MolNFT v1 · #109886 · protein

Structure of the native full-length dehydrated HIV-1 capsid protein

4XFY: “Structure of the native full-length dehydrated HIV-1 capsid protein”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.35). MolNFT v1 #109886 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4XFY
Type
protein
Length
216 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HIV-1 capsid protein
UniProt
P12493
Ligands
CL
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHIV-1 capsid proteinprotein21661% helix, 2% strandP12493

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A
  • 1PE · Pentaethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1640.350.77161PE

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 4XFY · Structure of the native full-length dehydrated HIV-1 capsid protein · the same entry in another collection · chain A against A, TM-score 1.00

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