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Crystal structure of the trai C-terminal domain

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

PDB
3FLD
Type
protein
Length
305 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein trai
EC
3.6.1.-
UniProt
P14565
Ligands
SO4
Pockets
3 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 24% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein trai (EC 3.6.1.-)protein15224% helix, 32% strandP14565
BProtein trai (EC 3.6.1.-)protein15323% helix, 31% strandP14565

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 10 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1700.330.7513empty
2510.290.7613empty
3650.280.7312SO4

Interfaces

1 interface between chains.

  • A–B · 2263 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 3FLD · Crystal structure of the trai c-terminal domain · the same entry in another collection · chain A against A, TM-score 1.00
  • P14565 · AlphaFold monomer V2.0 prediction for multifunctional conjugation protein trai (P14565) · a predicted model of the same protein · chain A against A, TM-score 0.65

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