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MolNFT v1 · #167286 · protein

Denguev-2 capsid ST148 inhibitor complex

6VG5: “Denguev-2 capsid ST148 inhibitor complex”. X-ray diffraction, 2 ligands (QWY, NO3). MolNFT v1 #167286 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6VG5
Type
protein
Length
162 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
A0A2D2BF61
Ligands
QWY, NO3

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein81—A0A2D2BF61

Ligands and binding sites

  • QWY · 3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide · ligand · chains A, B
  • NO3 · Nitrate ion · ion · 14 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.

Compared structures

  • 6VG5 · DengueV-2 Capsid ST148 inhibitor Complex · the same entry in another collection · chain A against A, TM-score 1.00

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