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MolNFT v1 · #6274 · protein

Crystal structures of feline immunodeficiency virus dutp pyrophosphatase and its nucleotide complexes in three crystal forms.

1F7K · Pol polyprotein: “Crystal structures of feline immunodeficiency virus dutp pyrophosphatase and its nucleotide complexes in…”. X-ray diffraction, 2 ligands (UMP, MG), 1 pocket (best druggability 0.47). MolNFT v1 #6274 on GenesisL1…

PDB
1F7K
Type
protein
Length
234 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pol polyprotein
EC
3.6.1.23
UniProt
P16088
Ligands
UMP, MG
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 3% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPol polyprotein (EC 3.6.1.23)protein1173% helix, 40% strandP16088

Ligands and binding sites

  • UMP · 2'-deoxyuridine 5'-monophosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 3 copies · chains A, B

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
11540.470.7719empty

Interfaces

1 interface between chains.

  • A–B · 517 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 1F7K · Crystal structures of feline immunodeficiency virus dutp pyrophosphatase and its… · the same entry in another collection · chain A against A, TM-score 1.00

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