MolNFT v1 · #79011 · protein
CDK2 in complex with inhibitor rc-3-96
3SQQ · Cyclin-dependent kinase 2: “CDK2 in complex with inhibitor rc-3-96”. X-ray diffraction, 1 ligand (99Z), 3 pockets (best druggability 0.75). MolNFT v1 #79011 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3SQQ
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclin-dependent kinase 2
- EC
- 2.7.11.22
- UniProt
- P24941
- Ligands
- 99Z
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 2 (EC 2.7.11.22) | protein | 288 | 34% helix, 16% strand | P24941 |
Ligands and binding sites
- 99Z · 4-{[4-amino-5-(2-methylbenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide · 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 | 516 | 0.75 | 0.83 | 60 | 99Z |
| 2 | 53 | 0.34 | 0.78 | 18 | empty |
| 3 | 62 | 0.30 | 0.75 | 15 | 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 3SQQ · PDBe 3SQQ · UniProt P24941
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