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MolNFT v1 · #94424 · protein

Crystal structure of ATBAG2

4HWD · Bag family molecular chaperone regulator 2: “Crystal structure of ATBAG2”. X-ray diffraction, 4 pockets (best druggability 0.51). MolNFT v1 #94424 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4HWD
Type
protein
Length
261 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bag family molecular chaperone regulator 2
UniProt
Q0WPX7
Pockets
4 · best druggability 0.51

Structure

x-ray diffraction · 3 distinct chains · 85% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DBag family molecular chaperone regulator 2protein9086% helix, 0% strandQ0WPX7
ABag family molecular chaperone regulator 2protein8685% helix, 0% strandQ0WPX7
BBag family molecular chaperone regulator 2protein8585% helix, 0% strandQ0WPX7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11380.510.8020empty
21290.390.7416empty
3820.380.7715empty
4670.280.7317empty

Interfaces

2 interfaces between chains.

  • D–A · 551 Ų buried · 6 hydrogen bonds · protein-protein
  • D–B · 410 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 4HWD · Crystal structure of ATBAG2 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q0WPX7 · AlphaFold monomer V2.0 prediction for bag family molecular chaperone regulator 2 (Q0WPX7) · a predicted model of the same protein · chain D against A, TM-score 0.98

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