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BCL-xl complex with beclin 1 BH3 domain T108D

Analyse BCL-xl complex with beclin 1 BH3 domain T108D in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DCO
Type
protein
Length
333 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BCL-2-like protein 1,BCL-2-like protein 1; Beclin-1
UniProt
Q07817, Q14457
Ligands
CL
Pockets
3 · best druggability 0.63

Structure

x-ray diffraction · 3 distinct chains · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBCL-2-like protein 1,BCL-2-like protein 1protein14671% helix, 0% strandQ07817
CBeclin-1protein2090% helix, 0% strandQ14457
DBeclin-1protein2186% helix, 0% strandQ14457

Ligands and binding sites

  • CL · Chloride ion · ion · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13900.630.7845CL
2620.480.8512empty
31020.480.8019empty

Interfaces

3 interfaces between chains.

  • A–B · 2266 Ų buried · 28 hydrogen bonds · protein-protein
  • A–C · 970 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 871 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 6DCO · Bcl-xL complex with Beclin 1 BH3 domain T108D · the same entry in another collection · chain D against D, TM-score 1.00
  • Q14457 · AlphaFold monomer V2.0 prediction for beclin-1 (Q14457) · a predicted model of the same protein · chain C against A, TM-score 0.83
  • Q07817 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 1 (Q07817) · a predicted model of the same protein · chain A against A, TM-score 0.78

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