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MolNFT v1 · #183276 · protein + RNA

1918 H1N1 viral influenza polymerase heterotrimer with NB8206

7NKA · Polymerase acidic protein: “1918 H1N1 viral influenza polymerase heterotrimer with NB8206”. Electron microscopy, 20 pockets (best druggability 0.86). MolNFT v1 #183276 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7NKA
Type
protein + RNA
Length
1,819 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polymerase acidic protein; RNA-directed RNA polymerase catalytic subunit; Polymerase…
EC
3.1.-.-, 2.7.7.48
UniProt
Q3HM39, Q3HM40, Q3HM41
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 6 distinct chains · 42% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolymerase acidic protein (EC 3.1.-.-)protein71642% helix, 16% strandQ3HM39
BRNA-directed RNA polymerase catalytic subunit (EC 2.7.7.48)protein73547% helix, 15% strandQ3HM40
CPolymerase basic protein 2,POLYMERASE basic protein 2protein24943% helix, 17% strandQ3HM41
ERNA (5'-R(P*GP*GP*CP*CP*UP*GP*CP*U)-3')rna8——
DRNA (5'-R(P*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*CP*C)- 3')rna15——
FNB8206protein963% helix, 50% strand—

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18450.860.88112empty
25650.810.8761empty
39880.800.81115empty
44970.790.8653empty
5530.720.9919empty

Interfaces

10 interfaces between chains.

  • A–B · 8945 Ų buried · 106 hydrogen bonds · protein-protein
  • B–C · 6798 Ų buried · 53 hydrogen bonds · protein-protein
  • A–D · 1399 Ų buried · 20 hydrogen bonds · protein-nucleic
  • A–C · 1310 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 628 Ų buried · 6 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7NKA · 1918 H1N1 Viral influenza polymerase heterotrimer with Nb8206 · the same entry in another collection · chain B against B, TM-score 1.00

Analyse

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