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MolNFT v1 · #42088 · protein

Bax activation is initiated at a novel interaction site

2K7W · Apoptosis regulator bax: “Bax activation is initiated at a novel interaction site”. Solution nmr, 4 pockets (best druggability 0.70). MolNFT v1 #42088 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2K7W
Type
protein
Length
212 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Apoptosis regulator bax; BCL-2-like protein 11
UniProt
Q07812, O43521
Pockets
4 · best druggability 0.70

Structure

solution nmr · 2 distinct chains · 68% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AApoptosis regulator baxprotein19266% helix, 0% strandQ07812
BBCL-2-like protein 11protein2085% helix, 0% strandO43521

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11830.700.8745empty
22480.670.8328empty
31150.430.7717empty
4870.370.7516empty

Interfaces

1 interface between chains.

  • A–B · 928 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 2K7W · BAX Activation is Initiated at a Novel Interaction Site · the same entry in another collection · chain A against A, TM-score 1.00
  • Q07812 · AlphaFold monomer V2.0 prediction for apoptosis regulator bax (Q07812) · a predicted model of the same protein · chain A against A, TM-score 0.81
  • 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 0.62

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