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MolNFT v1 · #160550 · protein

In situ structure of btv RNA-dependent RNA polymerase in btv virion

6PNS · RNA-directed RNA polymerase: “In situ structure of btv RNA-dependent RNA polymerase in btv virion”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #160550 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6PNS
Type
protein
Length
10,064 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA-directed RNA polymerase; Inner core structural protein VP3
EC
2.7.7.48
UniProt
W0G557, Q1AE73
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 7 distinct chains · 36% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA-directed RNA polymerase (EC 2.7.7.48)protein129141% helix, 11% strandW0G557
BInner core structural protein VP3protein87334% helix, 17% strandQ1AE73
C, E, G, I, KInner core structural protein VP3protein88534% helix, 13% strandQ1AE73
DInner core structural protein VP3protein86535% helix, 16% strandQ1AE73
FInner core structural protein VP3protein86736% helix, 16% strandQ1AE73
HInner core structural protein VP3protein87435% helix, 16% strandQ1AE73
JInner core structural protein VP3protein86933% helix, 17% strandQ1AE73

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16810.850.8967empty
210970.850.86112empty
39730.850.8698empty
47670.850.8898empty
53890.850.9353empty

Interfaces

22 interfaces between chains.

  • G–H · 2917 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 2907 Ų buried · 20 hydrogen bonds · protein-protein
  • B–C · 2906 Ų buried · 30 hydrogen bonds · protein-protein
  • H–I · 2853 Ų buried · 27 hydrogen bonds · protein-protein
  • B–K · 2850 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 6PNS · In situ structure of BTV RNA-dependent RNA polymerase in BTV virion · the same entry in another collection · chain G against G, TM-score 1.00

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