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Pestivirus NS3 helicase

Analyse Pestivirus NS3 helicase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4CBM
Type
protein
Length
1,839 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serine protease NS3
EC
3.4.21.113, 3.6.1.15, 3.6.4.13
UniProt
P19712
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 38% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerine protease NS3 (EC 3.4.21.113, 3.6.1.15, 3.6.4.13)protein46738% helix, 20% strandP19712
BSerine protease NS3 (EC 3.4.21.113, 3.6.1.15, 3.6.4.13)protein45838% helix, 22% strandP19712
CSerine protease NS3 (EC 3.4.21.113, 3.6.1.15, 3.6.4.13)protein46138% helix, 20% strandP19712
DSerine protease NS3 (EC 3.4.21.113, 3.6.1.15, 3.6.4.13)protein45337% helix, 20% strandP19712

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111070.760.7895empty
28380.750.7985empty
34240.680.8043empty
42280.660.8425empty
52330.650.8323empty

Interfaces

5 interfaces between chains.

  • B–C · 1273 Ų buried · 43 hydrogen bonds · protein-protein
  • A–D · 1224 Ų buried · 40 hydrogen bonds · protein-protein
  • A–C · 522 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 475 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 251 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4CBM · Pestivirus NS3 helicase · the same entry in another collection · chain A against A, TM-score 1.00

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