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MolNFT v1 · #161742 · protein

Influenza a polymerase heterotrimer human H3N2 northern territory 1968

6QNW · Polymerase acidic protein: “Influenza a polymerase heterotrimer human H3N2 northern territory 1968”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #161742 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6QNW
Type
protein
Length
8,365 residues
Chains
12
Method
x-ray diffraction
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
Q1AR05, P03432, P03429
Pockets
20 · best druggability 0.85

Structure

x-ray diffraction · 12 distinct chains · 39% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolymerase acidic protein (EC 3.1.-.-)protein70438% helix, 15% strandQ1AR05
BRNA-directed RNA polymerase catalytic subunit (EC 2.7.7.48)protein67944% helix, 11% strandP03432
CPolymerase basic protein 2protein72435% helix, 20% strandP03429
DPolymerase acidic protein (EC 3.1.-.-)protein68640% helix, 15% strandQ1AR05
ERNA-directed RNA polymerase catalytic subunit (EC 2.7.7.48)protein66546% helix, 10% strandP03432
FPolymerase basic protein 2protein72034% helix, 19% strandP03429
GPolymerase acidic protein (EC 3.1.-.-)protein70139% helix, 16% strandQ1AR05
HRNA-directed RNA polymerase catalytic subunit (EC 2.7.7.48)protein67645% helix, 10% strandP03432
IPolymerase basic protein 2protein72634% helix, 19% strandP03429
JPolymerase acidic protein (EC 3.1.-.-)protein70239% helix, 15% strandQ1AR05
KRNA-directed RNA polymerase catalytic subunit (EC 2.7.7.48)protein67345% helix, 10% strandP03432
LPolymerase basic protein 2protein70936% helix, 18% strandP03429

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18120.850.8889empty
27400.820.8583empty
36560.820.8670empty
410370.810.82117empty
510830.810.8292empty

Interfaces

24 interfaces between chains.

  • A–B · 8298 Ų buried · 100 hydrogen bonds · protein-protein
  • J–K · 7961 Ų buried · 103 hydrogen bonds · protein-protein
  • G–H · 7936 Ų buried · 104 hydrogen bonds · protein-protein
  • D–E · 7799 Ų buried · 88 hydrogen bonds · protein-protein
  • H–I · 7637 Ų buried · 74 hydrogen bonds · protein-protein

Compared structures

  • 6QNW · Influenza A Polymerase Heterotrimer Human H3N2 Northern Territory 1968 · the same entry in another collection · chain J against J, TM-score 1.00

Analyse

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