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MolNFT v1 · #141216 · protein

Crystal structure of beta-1,2-glucanase from parabacteroides distasonis

5Z06 · BDI_3064 protein: “Crystal structure of beta-1,2-glucanase from parabacteroides distasonis”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.85). MolNFT v1 #141216 on GenesisL1: 3D structure, binding sites and…

PDB
5Z06
Type
protein
Length
1,395 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
BDI_3064 protein
UniProt
A6LGF6
Ligands
CA
Pockets
11 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABDI_3064 proteinprotein69730% helix, 24% strandA6LGF6
BBDI_3064 proteinprotein69831% helix, 24% strandA6LGF6

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · additive · 10 copies · chains A, B

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

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17140.850.8891empty
26490.840.8976GOL
32840.610.7935GOL
43010.610.7835GOL
51350.560.8227empty

Interfaces

1 interface between chains.

  • A–B · 992 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 5Z06 · Crystal structure of beta-1,2-glucanase from Parabacteroides distasonis · the same entry in another collection · chain A against A, TM-score 1.00

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