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Crystal structure of budding yeast CDC5 polo-box domain in complex with the DBF4 polo-interacting region.

Analyse Crystal structure of budding yeast CDC5 polo-box domain in complex with the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6MF6
Type
protein
Length
501 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cell cycle SERINE/THREONINE-protein kinase CDC5/MSD2; Ddk kinase regulatory subunit DBF4
EC
2.7.11.21
UniProt
P32562, P32325
Pockets
9 · best druggability 0.77

Structure

x-ray diffraction · 4 distinct chains · 28% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACell cycle SERINE/THREONINE-protein kinase CDC5/MSD2 (EC 2.7.11.21)protein24429% helix, 27% strandP32562
BCell cycle SERINE/THREONINE-protein kinase CDC5/MSD2 (EC 2.7.11.21)protein23929% helix, 27% strandP32562
DDdk kinase regulatory subunit DBF4protein100% helix, 20% strandP32325
CDdk kinase regulatory subunit DBF4protein80% helix, 13% strandP32325

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110530.770.7978empty
2710.710.9623empty
3500.610.9217empty
4820.540.8521empty
51300.470.7826empty

Interfaces

3 interfaces between chains.

  • A–B · 767 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 553 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 477 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 6MF6 · Crystal structure of budding yeast Cdc5 polo-box domain in complex with the Dbf4… · the same entry in another collection · chain C against C, TM-score 1.00
  • P32562 · AlphaFold monomer V2.0 prediction for cell cycle SERINE/THREONINE- protein kinase… · a predicted model of the same protein · chain B against A, TM-score 0.95
  • P32325 · AlphaFold monomer V2.0 prediction for ddk kinase regulatory subunit DBF4 (P32325) · a predicted model of the same protein · chain C against A, TM-score 0.41

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