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Crystal structure of DEG5

Analyse Crystal structure of DEG5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IC5
Type
protein
Length
629 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protease do-like 5, chloroplastic
EC
3.4.21.-
UniProt
Q9SEL7
Ligands
CA
Pockets
13 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 19% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BProtease do-like 5, chloroplastic (EC 3.4.21.-)protein21021% helix, 34% strandQ9SEL7
CProtease do-like 5, chloroplastic (EC 3.4.21.-)protein20918% helix, 34% strandQ9SEL7

Ligands and binding sites

  • CA · Calcium ion · metal · 5 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14420.820.9052CA
21130.470.7915empty
3990.450.7914empty
4990.440.7816empty
5700.360.7815empty

Interfaces

3 interfaces between chains.

  • B–C · 912 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 909 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 908 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 4IC5 · Crystal structure of Deg5 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9SEL7 · AlphaFold monomer V2.0 prediction for protease do-like 5, chloroplastic (Q9SEL7) · a predicted model of the same protein · chain B against A, TM-score 0.96

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