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Crystal structure of african swine fever virus A179L with the autophagy regulator beclin

Analyse Crystal structure of african swine fever virus A179L with the autophagy… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TZC
Type
protein
Length
531 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MALTOSE/MALTODEXTRIN-binding periplasmic protein; Apoptosis regulator BCL-2 homolog…
UniProt
P0AEX9, P42485, Q4A1L5
Ligands
GLC
Pockets
4 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 56% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMALTOSE/MALTODEXTRIN-binding periplasmic proteinprotein36746% helix, 21% strandP0AEX9
BApoptosis regulator BCL-2 homologprotein14480% helix, 0% strandP42485
CBeclin-1protein2085% helix, 0% strandQ4A1L5

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12900.720.8529GLC
22150.610.8227empty
32810.510.7439empty
4790.340.7521empty

Interfaces

2 interfaces between chains.

  • B–C · 910 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 316 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6TZC · Crystal Structure of African Swine Fever Virus A179L with the Autophagy Regulator Beclin · the same entry in another collection · chain A against A, TM-score 1.00
  • Q4A1L5 · AlphaFold monomer V2.0 prediction for beclin-1 (Q4A1L5) · a predicted model of the same protein · chain C against A, TM-score 0.76

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