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Structure of BCL-xl bound to bimsahb

Analyse Structure of BCL-xl bound to bimsahb in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2YQ6
Type
protein
Length
163 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BCL-2-like protein 1; Bim beta 5
UniProt
Q07817, O43521
Ligands
NH2
Pockets
1 · best druggability 0.36

Structure

x-ray diffraction · 2 distinct chains · 81% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABCL-2-like protein 1protein14580% helix, 0% strandQ07817
BBim beta 5protein1889% helix, 0% strandO43521

Ligands and binding sites

  • NH2 · Amino group · ion · chains B
  • GOL · Glycerol · additive · 7 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1900.360.7521GOL

Interfaces

1 interface between chains.

  • A–B · 903 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 2YQ6 · Structure of Bcl-xL bound to BimSAHB · the same entry in another collection · chain B against B, TM-score 1.00
  • 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
  • O43521 · AlphaFold monomer V2.0 prediction for BCL-2-like protein 11 (O43521) · a predicted model of the same protein · chain B against A, TM-score 0.76

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