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MolNFT v1 · #170306 · protein

Crystal structure of unlinked NS2B-NS3 protease from zika virus in complex with inhibitor mi-2110

6Y3B: “Crystal structure of unlinked NS2B-NS3 protease from zika virus in complex with inhibitor mi-2110”. X-ray diffraction, 2 ligands (O7N, SO4). MolNFT v1 #170306 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6Y3B
Type
protein
Length
197 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
H8XX12
Ligands
O7N, SO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein38—H8XX12
B—protein159—H8XX12

Ligands and binding sites

  • O7N · 1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7, 14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine · ligand · chains A, B
  • SO4 · Sulfate ion · ion · chains A, B
  • GOL · Glycerol · additive · chains B

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

Compared structures

  • 6Y3B · Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00

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