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Structure of BCL-XL/BAK peptide complex, NMR, minimized average structure

Analyse Structure of BCL-XL/BAK peptide complex, NMR, minimized average structure in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1BXL
Type
protein
Length
197 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BCL-xl; Bak peptide
UniProt
Q07817, Q16611
Pockets
2 · best druggability 0.50

Structure

solution nmr · 2 distinct chains · 61% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABCL-xlprotein18162% helix, 0% strandQ07817
BBak peptideprotein1656% helix, 0% strandQ16611

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12160.500.7627empty
2630.310.7512empty

Interfaces

1 interface between chains.

  • A–B · 918 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 1BXL · Structure of BCL-XL/BAK peptide complex, NMR, minimized average structure · the same entry in another collection · chain A against A, 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 0.77
  • Q16611 · AlphaFold monomer V2.0 prediction for BCL-2 homologous ANTAGONIST/KILLER (Q16611) · a predicted model of the same protein · chain B against A, TM-score 0.45

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