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Structure of halothiobacillus neapolitanus microcompartments protein CSOS1D

Analyse Structure of halothiobacillus neapolitanus microcompartments protein CSOS1D in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DHQ
Type
protein
Length
1,227 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Microcompartments protein
UniProt
D0KZ73
Pockets
15 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, EMicrocompartments proteinprotein20539% helix, 29% strandD0KZ73
C, D, FMicrocompartments proteinprotein20441% helix, 29% strandD0KZ73

Pockets

15 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17080.740.8087empty
26560.700.7876empty
3720.700.9518empty
41050.640.8918empty
53410.610.7834empty

Interfaces

15 interfaces between chains.

  • A–B · 1058 Ų buried · 17 hydrogen bonds · protein-protein
  • E–F · 1016 Ų buried · 10 hydrogen bonds · protein-protein
  • D–E · 957 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 952 Ų buried · 13 hydrogen bonds · protein-protein
  • C–F · 947 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 7DHQ · Structure of Halothiobacillus neapolitanus Microcompartments Protein CsoS1D · the same entry in another collection · chain F against F, TM-score 1.00
  • D0KZ73 · AlphaFold monomer V2.0 prediction for carboxysome shell protein CSOS1D (D0KZ73) · a predicted model of the same protein · chain B against A, TM-score 0.99

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