Research workbench
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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell 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) | protein | 350 | 39% helix, 17% strand | O00311 |
| B | Protein DBF4 homolog a | protein | 107 | 21% helix, 18% strand | Q9UBU7 |
| C | DNA replication licensing factor MCM2 (EC 3.6.4.12) | protein | 9 | 0% helix, 0% strand | P49736 |
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 280 | 0.68 | 0.83 | 43 | ADP |
| 2 | 371 | 0.63 | 0.78 | 42 | empty |
| 3 | 94 | 0.36 | 0.75 | 19 | empty |
| 4 | 66 | 0.31 | 0.75 | 15 | empty |
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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O00311
- Every structure of UniProt Q9UBU7
- Every structure of UniProt P49736
- Elsewhere: RCSB PDB 6YA7 · PDBe 6YA7 · UniProt O00311 · UniProt Q9UBU7 · UniProt P49736
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