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CDC7-DBF4 bound to an MCM2-S40 derived bivalent substrate

Analyse CDC7-DBF4 bound to an MCM2-S40 derived bivalent substrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6YA7
Type
protein
Length
466 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cell division cycle 7-related protein KINASE,CELL division cycle 7-related protein…
EC
2.7.11.1, 3.6.4.12
UniProt
O00311, Q9UBU7, P49736
Ligands
ADP, ZN
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · 3 distinct chains · 34% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACell division cycle 7-related protein KINASE,CELL division cycle 7-related protein KINASE,CELL division cycle 7-related protein kinase (EC 2.7.11.1)protein35039% helix, 17% strandO00311
BProtein DBF4 homolog aprotein10721% helix, 18% strandQ9UBU7
CDNA replication licensing factor MCM2 (EC 3.6.4.12)protein90% helix, 0% strandP49736

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A, C
  • ZN · Zinc ion · metal · 4 copies · chains A, C, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12800.680.8343ADP
23710.630.7842empty
3940.360.7519empty
4660.310.7515empty

Interfaces

3 interfaces between chains.

  • A–B · 3746 Ų buried · 47 hydrogen bonds · protein-protein
  • A–C · 808 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 110 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard, phosphorylation).

Compared structures

  • 6YA7 · Cdc7-Dbf4 bound to an Mcm2-S40 derived bivalent substrate · the same entry in another collection · chain A against A, TM-score 1.00
  • O00311 · AlphaFold monomer V2.0 prediction for cell division cycle 7-related protein kinase… · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q9UBU7 · AlphaFold monomer V2.0 prediction for protein DBF4 homolog a (Q9UBU7) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • P49736 · AlphaFold monomer V2.0 prediction for DNA replication licensing factor MCM2 (P49736) · a predicted model of the same protein · chain C against A, TM-score 0.53

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