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MolNFT v1 · #101065 · protein

Crystal structure of polymerase subunit pa N-terminal endonuclease domain from bat-derived influenza virus H17N10

4NFZ · Polymerase pa: “Crystal structure of polymerase subunit pa N-terminal endonuclease domain from bat-derived influenza virus…”. X-ray diffraction, 1 ligand (MN), 5 pockets (best druggability 0.78). MolNFT v1 #101065 on GenesisL1: 3D…

PDB
4NFZ
Type
protein
Length
588 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polymerase pa
UniProt
H6QM92
Ligands
MN
Pockets
5 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CPolymerase paprotein19644% helix, 16% strandH6QM92

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15290.780.8561empty
27030.770.8279MN
33990.650.7944MN
42110.470.7432empty
5510.260.7313empty

Interfaces

3 interfaces between chains.

  • A–C · 582 Ų buried · 1 hydrogen bond · protein-protein
  • B–C · 508 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 446 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4NFZ · Crystal structure of polymerase subunit PA N-terminal endonuclease domain from… · the same entry in another collection · chain A against A, TM-score 1.00

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