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Bak in complex with bim-H3GLG

Analyse Bak in complex with bim-H3GLG in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VX0
Type
protein
Length
379 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BCL-2 homologous ANTAGONIST/KILLER; BCL-2-like protein 11
UniProt
Q16611, O43521
Ligands
MG
Pockets
3 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABCL-2 homologous ANTAGONIST/KILLERprotein16970% helix, 0% strandQ16611
BBCL-2-like protein 11protein2580% helix, 0% strandO43521
CBCL-2 homologous ANTAGONIST/KILLERprotein16172% helix, 0% strandQ16611
DBCL-2-like protein 11protein2483% helix, 0% strandO43521

Ligands and binding sites

  • MG · Magnesium ion · metal · 6 copies · chains A, B, C
  • EDO · 1,2-ethanediol · additive · chains C, D

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
11460.770.9533empty
2740.450.8218empty
3810.350.7616MG

Interfaces

3 interfaces between chains.

  • A–B · 1317 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 1306 Ų buried · 21 hydrogen bonds · protein-protein
  • A–C · 1020 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 5VX0 · Bak in complex with Bim-h3Glg · the same entry in another collection · chain D against D, TM-score 1.00
  • Q16611 · AlphaFold monomer V2.0 prediction for BCL-2 homologous ANTAGONIST/KILLER (Q16611) · a predicted model of the same protein · chain C against A, TM-score 0.95
  • 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 0.80

Analyse

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