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MolNFT v1 · #139292 · protein

GH42 alpha-L-arabinopyranosidase from bifidobacterium animalis subsp. lactis bl-04

5XB7 · Beta-galactosidase: “GH42 alpha-L-arabinopyranosidase from bifidobacterium animalis subsp. lactis bl-04”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.71). MolNFT v1 #139292 on GenesisL1: 3D structure, binding…

PDB
5XB7
Type
protein
Length
4,119 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-galactosidase
UniProt
A0A1M2TTS0
Ligands
SO4
Pockets
20 · best druggability 0.71

Structure

x-ray diffraction · 6 distinct chains · 34% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-galactosidaseprotein68534% helix, 21% strandA0A1M2TTS0
BBeta-galactosidaseprotein68534% helix, 22% strandA0A1M2TTS0
CBeta-galactosidaseprotein68234% helix, 22% strandA0A1M2TTS0
DBeta-galactosidaseprotein68534% helix, 21% strandA0A1M2TTS0
EBeta-galactosidaseprotein68433% helix, 21% strandA0A1M2TTS0
FBeta-galactosidaseprotein69833% helix, 22% strandA0A1M2TTS0

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 16 copies · chains A, B, D, C, E, F
  • GOL · Glycerol · additive · 55 copies · chains A, D, C, B, F, E

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.710.9919empty
2580.710.9820empty
3510.700.9820empty
4520.690.9719empty
58130.690.7580SO4

Interfaces

12 interfaces between chains.

  • C–D · 2443 Ų buried · 39 hydrogen bonds · protein-protein
  • A–C · 2430 Ų buried · 40 hydrogen bonds · protein-protein
  • A–D · 2426 Ų buried · 41 hydrogen bonds · protein-protein
  • B–F · 2410 Ų buried · 40 hydrogen bonds · protein-protein
  • E–F · 2407 Ų buried · 39 hydrogen bonds · protein-protein

Compared structures

  • 5XB7 · GH42 alpha-L-arabinopyranosidase from Bifidobacterium animalis subsp. lactis Bl-04 · the same entry in another collection · chain A against A, TM-score 1.00

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