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MolNFT v1 · #139190 · protein

Crystal structure of nucleosome assembly protein S (pfnaps) from plasmodium falciparum

5X7V: “Crystal structure of nucleosome assembly protein S (pfnaps) from plasmodium falciparum”. X-ray diffraction, 7 pockets (best druggability 0.55). MolNFT v1 #139190 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5X7V
Type
protein
Length
1,023 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nucleosome assembly protein
UniProt
Q9Y010
Pockets
7 · best druggability 0.55

Structure

x-ray diffraction · 6 distinct chains · 48% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANucleosome assembly proteinprotein17746% helix, 17% strandQ9Y010
BNucleosome assembly proteinprotein16050% helix, 18% strandQ9Y010
CNucleosome assembly proteinprotein17945% helix, 16% strandQ9Y010
DNucleosome assembly proteinprotein17250% helix, 20% strandQ9Y010
ENucleosome assembly proteinprotein16750% helix, 19% strandQ9Y010
FNucleosome assembly proteinprotein16848% helix, 20% strandQ9Y010

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13020.550.7529empty
22410.540.7730empty
32240.500.7624empty
42170.500.7623empty
51360.440.7723empty

Interfaces

7 interfaces between chains.

  • C–D · 1777 Ų buried · 16 hydrogen bonds · protein-protein
  • A–B · 1764 Ų buried · 14 hydrogen bonds · protein-protein
  • E–F · 1742 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 548 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 171 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 5X7V · Crystal structure of Nucleosome assembly protein S (PfNapS) from Plasmodium falciparum · the same entry in another collection · chain A against A, TM-score 1.00

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