Research workbench
Structure of CDK2-cyclin a with pha-404611
Analyse Structure of CDK2-cyclin a with pha-404611 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BKZ
- Type
- protein
- Length
- 1,112 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell division protein kinase 2; Cyclin A2
- EC
- 2.7.1.37
- UniProt
- P24941, P20248
- Ligands
- SBC, SO4
- Pockets
- 16 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division protein kinase 2 (EC 2.7.1.37) | protein | 302 | 35% helix, 17% strand | P24941 |
| B | Cyclin A2 | protein | 257 | 68% helix, 0% strand | P20248 |
| C | Cell division protein kinase 2 (EC 2.7.1.37) | protein | 298 | 35% helix, 18% strand | P24941 |
| D | Cyclin A2 | protein | 255 | 68% helix, 0% strand | P20248 |
Ligands and binding sites
- SBC · 1-[4-(aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide · ligand · 2 copies · chains A, C
- SO4 · Sulfate ion · ion · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.81 | 0.98 | 24 | empty |
| 2 | 132 | 0.80 | 0.98 | 22 | empty |
| 3 | 815 | 0.75 | 0.79 | 78 | empty |
| 4 | 591 | 0.69 | 0.78 | 58 | empty |
| 5 | 213 | 0.67 | 0.85 | 23 | SBC |
Interfaces
5 interfaces between chains.
- C–D · 1620 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1613 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 530 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 470 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 150 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2BKZ · Structure of CDK2-cyclin a with pha-404611 · the same entry in another collection · chain B against B, TM-score 1.00
- P20248 · AlphaFold monomer V2.0 prediction for cyclin-A2 (P20248) · a predicted model of the same protein · chain D against A, TM-score 1.00
- P24941 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 2 (P24941) · a predicted model of the same protein · chain C against A, TM-score 0.91
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 P24941
- Every structure of UniProt P20248
- Elsewhere: RCSB PDB 2BKZ · PDBe 2BKZ · UniProt P24941 · UniProt P20248
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