MolNFT v1 · #170857 · protein
CDK2(F80C) with covalent adduct TK37 at F80C
6YL1 · Cyclin-dependent kinase 2: “CDK2(F80C) with covalent adduct TK37 at F80C”. X-ray diffraction, 1 ligand (OWN), 3 pockets (best druggability 0.76). MolNFT v1 #170857 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6YL1
- Type
- protein
- Length
- 287 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
- OWN
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent kinase 2 (EC 2.7.11.22) | protein | 287 | 33% helix, 16% strand | P24941 |
Ligands and binding sites
- OWN · methyl 4-(cyclopropylmethyl)-1-prop-2-enoyl-2,3-dihydroquinoxaline-6-carboxylate · ligand · 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 | 282 | 0.76 | 0.88 | 37 | OWN |
| 2 | 50 | 0.36 | 0.80 | 17 | empty |
| 3 | 91 | 0.33 | 0.74 | 19 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 6YL1 · PDBe 6YL1 · UniProt P24941
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