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MolNFT v1 · #70454 · protein

Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase

3LKZ · Non-structural protein 5: “Structural and functional analyses of a conserved hydrophobic pocket of flavivirus methyltransferase”. X-ray diffraction, 1 ligand (SFG), 4 pockets (best druggability 0.69). MolNFT v1 #70454 on GenesisL1…

PDB
3LKZ
Type
protein
Length
524 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-structural protein 5
UniProt
Q9Q6P4
Ligands
SFG
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BNon-structural protein 5protein26235% helix, 16% strandQ9Q6P4

Ligands and binding sites

  • SFG · Sinefungin · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15410.690.7960SFG
25660.680.7860SFG
3590.480.8518empty
4500.420.8315empty

Interfaces

1 interface between chains.

  • A–B · 149 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3LKZ · Structural and functional analyses of a conserved hydrophobic pocket of flavivirus… · the same entry in another collection · chain A against A, TM-score 1.00

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