CDK2 in complex with FragLite38. Determined by X-ray diffraction at 1.06 Å resolution. Released 20 Mar 2019.
Explore 6Q4K in 3D Show helices and sheets RCSB PDB PDBe
6Q4K contains 20 α-helices and 11 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 4-12 | 9 | 1 |
| β-strand | 17-23 | 7 | 1 |
| β-strand | 29-35 | 7 | 1 |
| α-helix | 36 | 1 | |
| α-helix | 46-53 | 8 | |
| α-helix | 54-57 | 4 | |
| β-strand | 63 | 1 | 2 |
| β-strand | 66-72 | 7 | 1 |
| β-strand | 75-81 | 7 | 1 |
| β-strand | 85-86 | 2 | 2 |
| α-helix | 87-93 | 7 | |
| α-helix | 101-120 | 20 | |
| α-helix | 130-132 | 3 | |
| β-strand | 133-135 | 3 | 2 |
| β-strand | 141-143 | 3 | 2 |
| α-helix | 148-152 | 5 | |
| β-strand | 157 | 1 | 3 |
| α-helix | 162 | 1 | |
| β-strand | 163 | 1 | 3 |
| α-helix | 164-165 | 2 | |
| α-helix | 171-174 | 4 | |
| α-helix | 183-198 | 16 | |
| α-helix | 208-219 | 12 | |
| α-helix | 230-232 | 3 | |
| α-helix | 243-247 | 5 | |
| α-helix | 248-251 | 4 | |
| α-helix | 257-266 | 10 | |
| α-helix | 275-276 | 2 | |
| α-helix | 277-281 | 5 | |
| α-helix | 284-288 | 5 | |
| α-helix | 292-294 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2 | A | protein | 306 | Homo sapiens | P24941 (AlphaFold model) |
>6Q4K_1 Cyclin-dependent kinase 2 (chains A) GPLGSPEFMENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREI SLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLL QGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPE ILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTS MPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKP VPHLRL
| ID | Name | Formula | Copies |
|---|---|---|---|
| HHW | (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid | C16 H12 Cl N O3 | 2 |
Water and common crystallization additives (EDO) are not listed.
FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. Wood, D.J., Lopez-Fernandez, J.D., Knight, L.E. et al. J Med Chem (2019) 62:3741-3752. DOI 10.1021/acs.jmedchem.9b00304 · PubMed
Other PDB entries of the same protein (UniProt P24941 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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