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Crystal structure of ebinur lake virus cap snatching endonuclease in complex with L-742,001 (methyl ester form)

Analyse Crystal structure of ebinur lake virus cap snatching endonuclease in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EX2
Type
protein
Length
360 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Replicase
EC
2.7.7.48
UniProt
A0A059WLS9
Ligands
I0N, MN
Pockets
2 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BReplicase (EC 2.7.7.48)protein18053% helix, 13% strandA0A059WLS9

Ligands and binding sites

  • I0N · methyl (Z)-4-[4-[(4-chlorophenyl)methyl]-1-(phenylmethyl)piperidin-4-yl]-2-oxidanyl-4-oxidanylidene-but-2-enoate · ligand · 2 copies · chains A, B
  • MN · Manganese (II) ion · metal · 4 copies · chains A, B

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
11100.380.7519empty
2950.320.7319MN, I0N

Interfaces

1 interface between chains.

  • A–B · 493 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 7EX2 · Crystal structure of Ebinur Lake virus cap snatching endonuclease in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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