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MolNFT v1 · #142179 · protein

Structure of RNA polymerase complex and genome within a dsrna virus provides insights into the mechanisms of transcription and assembly

5ZVT · Outer capsid VP7: “Structure of RNA polymerase complex and genome within a dsrna virus provides insights into the mechanisms of…”. Electron microscopy, 1 ligand (MYR), 20 pockets (best druggability 0.86). MolNFT v1 #142179 on…

PDB
5ZVT
Type
protein
Length
11,588 residues
Chains
35
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer capsid VP7; N-terminus of outer capsid protein VP5; C-terminus of outer capsid…
UniProt
Q8JU63, Q8JU67, Q8JU64, Q9E3W0, Q9E3V8
Ligands
MYR
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 7 distinct chains · 30% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
l, b, f, d, h, j, n, p, r, tOuter capsid VP7protein8623% helix, 20% strandQ8JU63
A, C, E, G, I, K, M, O, Q, SN-terminus of outer capsid protein VP5protein4110% helix, 7% strandQ8JU67
B, D, F, H, J, L, N, P, R, TC-terminus of outer capsid protein VP5protein60437% helix, 13% strandQ8JU67
U, VCore protein VP6protein41133% helix, 8% strandQ8JU64
WVP1protein128423% helix, 21% strandQ9E3W0
XVP3protein101833% helix, 13% strandQ9E3V8
YVP3protein115431% helix, 10% strandQ9E3V8

Ligands and binding sites

  • MYR · Myristic acid · ligand · 10 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17260.860.9096empty
210190.860.8893empty
310770.860.87104empty
410440.850.8796empty
53170.850.9555empty

Interfaces

95 interfaces between chains.

  • D–H · 4440 Ų buried · 48 hydrogen bonds · protein-protein
  • P–T · 4438 Ų buried · 50 hydrogen bonds · protein-protein
  • J–N · 4436 Ų buried · 48 hydrogen bonds · protein-protein
  • D–F · 4432 Ų buried · 48 hydrogen bonds · protein-protein
  • R–T · 4428 Ų buried · 48 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 lipid, 1 disulfide (myristoylation, disulfide).

Compared structures

  • 5ZVT · Structure of RNA polymerase complex and genome within a dsRNA virus provides insights… · the same entry in another collection · chain b against b, TM-score 1.00

Analyse

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