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MolNFT v1 · #142739 · protein

Crystal structure of the zika virus NS3 helicase (ADP-MN2+ complex, form 1)

6ADX · Serine protease NS3: “Crystal structure of the zika virus NS3 helicase (ADP-MN2+ complex, form 1)”. X-ray diffraction, 2 ligands (ADP, MN), 2 pockets (best druggability 0.81). MolNFT v1 #142739 on GenesisL1: 3D structure, binding…

PDB
6ADX
Type
protein
Length
430 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serine protease NS3
EC
3.4.21.91, 3.6.1.15, 3.6.4.13
UniProt
Q32ZE1
Ligands
ADP, MN
Pockets
2 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerine protease NS3 (EC 3.4.21.91, 3.6.1.15, 3.6.4.13)protein43034% helix, 19% strandQ32ZE1

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • MN · Manganese (II) ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19780.810.8391empty
21210.590.8623ADP, MN

Compared structures

  • 6ADX · Crystal structure of the Zika virus NS3 helicase (ADP-Mn2+ complex, form 1) · the same entry in another collection · chain A against A, TM-score 1.00

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