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MolNFT v1 · #149902 · protein

Crystal structure of exo-GLUCOSIDASE/GLUCOSAMINIDASE VC0615 from vibrio cholerae

6GDT · Endoglucanase-related protein: “Crystal structure of exo-GLUCOSIDASE/GLUCOSAMINIDASE VC0615 from vibrio cholerae”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #149902 on GenesisL1: 3D structure, binding sites…

PDB
6GDT
Type
protein
Length
2,826 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoglucanase-related protein
UniProt
Q9KUA8
Pockets
20 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DEndoglucanase-related proteinprotein56639% helix, 18% strandQ9KUA8
EEndoglucanase-related proteinprotein56240% helix, 18% strandQ9KUA8

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains C

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
13970.840.9253empty
211800.800.8192empty
37720.740.7970empty
41980.670.8525empty
52040.670.8527empty

Interfaces

4 interfaces between chains.

  • A–C · 1013 Ų buried · 11 hydrogen bonds · protein-protein
  • B–E · 769 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 417 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 367 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6GDT · Crystal structure of exo-glucosidase/glucosaminidase VC0615 from Vibrio Cholerae · the same entry in another collection · chain A against A, TM-score 1.00

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