Research workbench
CDK2 ternary complex with SU9516 and ans
Analyse CDK2 ternary complex with SU9516 and ans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3PY1
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell division protein kinase 2
- EC
- 2.7.11.22
- UniProt
- P24941
- Ligands
- 2AN, SU9
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division protein kinase 2 (EC 2.7.11.22) | protein | 302 | 37% helix, 16% strand | P24941 |
Ligands and binding sites
- 2AN · 8-anilino-1-naphthalene sulfonate · ligand · 2 copies · chains A
- SU9 · (3Z)-3-(1H-imidazol-5-ylmethylene)-5-methoxy-1H-indol-2(3H)-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 573 | 0.78 | 0.84 | 70 | SU9, 2AN |
| 2 | 71 | 0.34 | 0.75 | 16 | empty |
| 3 | 57 | 0.33 | 0.77 | 13 | empty |
Compared structures
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
- Elsewhere: RCSB PDB 3PY1 · PDBe 3PY1 · UniProt P24941
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