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Structure of N2152 from neocallimastix frontalis

Analyse Structure of N2152 from neocallimastix frontalis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5U22
Type
protein
Length
403 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N2152
Ligands
IOD
Pockets
1 · best druggability 0.48

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
AN2152protein40329% helix, 29% strand—

Ligands and binding sites

  • IOD · Iodide ion · ion · 13 copies · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11010.480.8016BTB

Compared structures

  • 5U22 · Structure of N2152 from Neocallimastix frontalis · the same entry in another collection · chain A against A, TM-score 1.00

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