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Crystal structure of semisweet in the inward-open and outward-open conformations

Analyse Crystal structure of semisweet in the inward-open and outward-open conformations in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4X5N
Type
protein
Length
366 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
T8UDF6
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 85% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein9185% helix, 0% strandT8UDF6
BUncharacterized proteinprotein9286% helix, 0% strandT8UDF6
CUncharacterized proteinprotein9283% helix, 0% strandT8UDF6
DUncharacterized proteinprotein9186% helix, 0% strandT8UDF6

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17730.810.8452empty
24010.690.8138empty
33740.620.7628empty
4670.330.7513empty

Interfaces

3 interfaces between chains.

  • C–D · 1530 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 1530 Ų buried · 14 hydrogen bonds · protein-protein
  • A–D · 270 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4X5N · Crystal structure of SemiSWEET in the inward-open and outward-open conformations · the same entry in another collection · chain A against A, TM-score 1.00

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