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Crystal structure of budding yeast CDC14P (C283S) bound to a SWI6P phosphopeptide

Analyse Crystal structure of budding yeast CDC14P (C283S) bound to a SWI6P… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XW5
Type
protein
Length
734 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein phosphatase CDC14; Regulatory protein SWI6
EC
3.1.3.48
UniProt
Q00684, P09959
Ligands
SO4
Pockets
10 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATyrosine-protein phosphatase CDC14 (EC 3.1.3.48)protein36242% helix, 15% strandQ00684
BTyrosine-protein phosphatase CDC14 (EC 3.1.3.48)protein36442% helix, 14% strandQ00684
CRegulatory protein SWI6protein80% helix, 0% strandP09959

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11820.830.9735empty
21940.570.8024empty
31780.560.8021empty
41470.520.8022empty
5970.470.8122empty

Interfaces

2 interfaces between chains.

  • A–B · 1775 Ų buried · 25 hydrogen bonds · protein-protein
  • A–C · 622 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

  • 5XW5 · Crystal structure of budding yeast Cdc14p (C283S) bound to a Swi6p phosphopeptide · the same entry in another collection · chain A against A, TM-score 1.00
  • Q00684 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase CDC14 (Q00684) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P09959 · AlphaFold monomer V2.0 prediction for regulatory protein SWI6 (P09959) · a predicted model of the same protein · chain C against A, TM-score 0.51

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