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X-ray structural of three tandemly linked domains of NSP3 from murine hepatitis virus at 2.60 ångströms resolution

Analyse X-ray structural of three tandemly linked domains of NSP3 from murine hepatitis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4YPT
Type
protein
Length
378 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Replicase polyprotein 1AB
EC
3.4.19.12, 3.4.22.69, 3.4.22.-, 2.7.7.48, 3.6.4.12, 3.6.4.13, 2.1.1.-, 3.1.13.-, 3.1.-.-
UniProt
P0C6X9
Ligands
ZN
Pockets
2 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplicase polyprotein 1AB (EC 3.4.19.12, 3.4.22.69, 3.4.22.-, 2.7.7.48, 3.6.4.12, 3.6.4.13, 2.1.1.-, 3.1.13.-, 3.1.-.-)protein37826% helix, 35% strandP0C6X9

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • GOL · Glycerol · additive · 5 copies · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11420.460.7727GOL
21060.420.7723GOL

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 4YPT · X-ray structural of three tandemly linked domains of nsp3 from murine hepatitis virus at… · the same entry in another collection · chain A against A, TM-score 1.00

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