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Structural insights into higher-order assembly and function of the bacterial microcompartment protein pdua

Analyse Structural insights into higher-order assembly and function of the bacterial… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4P7V
Type
protein
Length
516 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyhedral bodies
UniProt
B1VB62
Pockets
2 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, FPolyhedral bodiesprotein8641% helix, 37% strandB1VB62

Ligands and binding sites

  • GOL · Glycerol · additive · chains A, B, C, D, E, F

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11770.410.7325GOL
2560.310.7616empty

Interfaces

6 interfaces between chains.

  • B–D · 903 Ų buried · 12 hydrogen bonds · protein-protein
  • A–E · 886 Ų buried · 13 hydrogen bonds · protein-protein
  • C–E · 859 Ų buried · 9 hydrogen bonds · protein-protein
  • A–F · 859 Ų buried · 10 hydrogen bonds · protein-protein
  • B–F · 854 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 4P7V · Structural insights into higher-order assembly and function of the bacterial… · the same entry in another collection · chain A against A, TM-score 1.00

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