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Crystal structure of of lamacat from zobellia galactanivorans

Analyse Crystal structure of of lamacat from zobellia galactanivorans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4BQ1
Type
protein
Length
502 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endo-1,3-beta-glucanase, family GH16
EC
3.2.1.39
UniProt
G0L5X4
Ligands
CA
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEndo-1,3-beta-glucanase, family GH16 (EC 3.2.1.39)protein2512% helix, 52% strandG0L5X4

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11730.650.8645empty
21800.570.8130GOL
31880.560.8030GOL
42340.530.7630empty

Interfaces

1 interface between chains.

  • A–B · 658 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 4BQ1 · Crystal structure of of LamAcat from Zobellia galactanivorans · the same entry in another collection · chain A against A, TM-score 1.00

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