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MolNFT v1 · #103450 · protein

N-terminal domain of the capsid protein from bovine leukaemia virus (with no beta-hairpin)

4PH3 · Blv capsid: “N-terminal domain of the capsid protein from bovine leukaemia virus (with no beta-hairpin)”. X-ray diffraction, 1 ligand (IOD), 3 pockets (best druggability 0.49). MolNFT v1 #103450 on GenesisL1: 3D structure, binding…

PDB
4PH3
Type
protein
Length
230 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Blv capsid
UniProt
L0PI28
Ligands
IOD
Pockets
3 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABlv capsidprotein11567% helix, 0% strandL0PI28
BBlv capsidprotein11564% helix, 0% strandL0PI28

Ligands and binding sites

  • IOD · Iodide ion · ion · 49 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12080.490.7520IOD
2560.350.7910IOD
3580.290.7410IOD

Interfaces

1 interface between chains.

  • A–B · 504 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

  • 4PH3 · N-terminal domain of the capsid protein from bovine leukaemia virus (with no beta-hairpin) · the same entry in another collection · chain A against A, TM-score 1.00

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