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MolNFT v1 · #88652 · protein

The structure of the GH35 beta-galactosidase BGL35A from cellvibrio japonicus

4D1I · Beta-galactosidase, putative, BGL35A: “The structure of the GH35 beta-galactosidase BGL35A from cellvibrio japonicus”. X-ray diffraction, 1 ligand (NA), 20 pockets (best druggability 0.67). MolNFT v1 #88652 on GenesisL1: 3D…

PDB
4D1I
Type
protein
Length
4,313 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-galactosidase, putative, BGL35A
EC
3.2.1.23
UniProt
B3PBE0
Ligands
NA
Pockets
20 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, HBeta-galactosidase, putative, BGL35A (EC 3.2.1.23)protein53935% helix, 29% strandB3PBE0
GBeta-galactosidase, putative, BGL35A (EC 3.2.1.23)protein54034% helix, 29% strandB3PBE0

Ligands and binding sites

  • NA · Sodium ion · metal · 17 copies · chains A, B, C, D, E, F, G, H
  • ACT · Acetate ion · additive · 3 copies · chains D, H

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17830.670.7553empty
25000.650.7763empty
34630.650.7751empty
44960.650.7765empty
54550.640.7759empty

Interfaces

9 interfaces between chains.

  • A–C · 1341 Ų buried · 23 hydrogen bonds · protein-protein
  • D–F · 1340 Ų buried · 23 hydrogen bonds · protein-protein
  • E–G · 1328 Ų buried · 22 hydrogen bonds · protein-protein
  • F–G · 1327 Ų buried · 22 hydrogen bonds · protein-protein
  • B–H · 1326 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 4D1I · The structure of the GH35 beta-galactosidase Bgl35A from Cellvibrio japonicus · the same entry in another collection · chain A against A, TM-score 1.00

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