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MolNFT v1 · #120577 · protein

Crystal structure of cellulase from antarctic springtail, cryptopygus antarcticus

5H4U · Endo-beta-1,4-glucanase: “Crystal structure of cellulase from antarctic springtail, cryptopygus antarcticus”. X-ray diffraction, 8 pockets (best druggability 0.58). MolNFT v1 #120577 on GenesisL1: 3D structure, binding sites and…

PDB
5H4U
Type
protein
Length
624 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endo-beta-1,4-glucanase
UniProt
D3GDK4
Pockets
8 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CEndo-beta-1,4-glucanaseprotein20820% helix, 29% strandD3GDK4

Pockets

8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12470.580.7930empty
21200.540.8319empty
32290.510.7630empty
41880.490.7736empty
51770.490.7730empty

Interfaces

2 interfaces between chains.

  • A–C · 356 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 213 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 21 disulfide (disulfide).

Compared structures

  • 5H4U · Crystal structure of cellulase from Antarctic springtail, Cryptopygus antarcticus · the same entry in another collection · chain A against A, TM-score 1.00
  • D3GDK4 · AlphaFold monomer V2.0 prediction for endoglucanase (D3GDK4) · a predicted model of the same protein · chain A against A, TM-score 0.98

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