Structure of CDK4-Cyclin D3 bound to abemaciclib. Determined by X-ray diffraction at 2.51 Å resolution. Released 2 Nov 2022.
Explore 7SJ3 in 3D Show helices and sheets RCSB PDB PDBe
7SJ3 contains 29 α-helices and 13 β-strands across 2 chains. 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 | 7-15 | 9 | 1 |
| β-strand | 18-24 | 7 | 1 |
| β-strand | 31-37 | 7 | 1 |
| α-helix | 51-63 | 13 | |
| β-strand | 71 | 1 | 2 |
| α-helix | 72-73 | 2 | |
| β-strand | 74-80 | 7 | 1 |
| β-strand | 88-94 | 7 | 1 |
| β-strand | 98-99 | 2 | 2 |
| α-helix | 100-104 | 5 | |
| α-helix | 115-132 | 18 | |
| β-strand | 136-137 | 2 | 3 |
| α-helix | 143-145 | 3 | |
| β-strand | 146-148 | 3 | 2 |
| β-strand | 154-156 | 3 | 2 |
| β-strand | 163-164 | 2 | 3 |
| β-strand | 170 | 1 | 4 |
| α-helix | 178-180 | 3 | |
| α-helix | 183-186 | 4 | |
| α-helix | 194-209 | 16 | |
| α-helix | 219-230 | 12 | |
| α-helix | 246-248 | 3 | |
| α-helix | 266-275 | 10 | |
| α-helix | 284-285 | 2 | |
| α-helix | 286-290 | 5 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 14 | 1 | 4 |
| α-helix | 19-22 | 4 | |
| α-helix | 25-35 | 11 | |
| α-helix | 36-38 | 3 | |
| α-helix | 44-47 | 4 | |
| α-helix | 54-70 | 17 | |
| α-helix | 77-89 | 13 | |
| α-helix | 96-98 | 3 | |
| α-helix | 99-114 | 16 | |
| α-helix | 121-127 | 7 | |
| α-helix | 134-147 | 14 | |
| α-helix | 158-166 | 9 | |
| α-helix | 175-191 | 17 | |
| α-helix | 193-195 | 3 | |
| α-helix | 200-215 | 16 | |
| α-helix | 222-233 | 12 | |
| α-helix | 237-252 | 16 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 4 | A | protein | 311 | Homo sapiens | P11802 (AlphaFold model) |
| G1/S-specific cyclin-D3 | B | protein | 259 | Homo sapiens | P30281 (AlphaFold model) |
>7SJ3_1 Cyclin-dependent kinase 4 (chains A) XATSRYEPVAEIGVGAYGTVYKARDPHSGHFVALKSVRVPNGGGGGGGLPISTVREVALL RRLEAFEHPNVVRLMDVCATSRTDREIKVTLVFEHVDQDLRTYLDKAPPPGLPAETIKDL MRQFLRGLDFLHANCIVHRDLKPENILVTSGGTVKLADFGLARIYSYQMALTPVVVTLWY RAPEVLLQSTYATPVDMWSVGCIFAEMFRRKPLFCGNSEADQLGKIFDLIGLPPEDDWPR DVSLPRGAFPPRGPRPVQSVVPEMEESGAQLLLEMLTFNPHKRISAFRALQHSYLHKDEG NPEEGHHHHHH
>7SJ3_2 G1/S-specific cyclin-D3 (chains B) MELLCCEGTRHAPRAGPDPRLLGDQRVLQSLLRLEERYVPRASYFQCVQREIKPHMRKML AYWMLEVCEEQRCEEEVFPLAMNYLDRYLSCVPTRKAQLQLLGAVCMLLASKLRETTPLT IEKLCIYTDHAVSPRQLRDWEVLVLGKLKWDLAAVIAHDFLAFILHRLSLPRDRQALVKK HAQTFLALCATDYTFAMYPPSMIATGSIGAAVQGLGACSMSGDELTELLAGITGTEVDCL RACQEQIEAALRESLREAS
| ID | Name | Formula | Copies |
|---|---|---|---|
| 6ZV | N-{5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}-5-fluoro-4-[4-fluoro-2-methyl… | C27 H32 F2 N8 | 1 |
Crystal structure of active CDK4-cyclin D and mechanistic basis for abemaciclib efficacy. Gharbi, S.I., Pelletier, L.A., Espada, A. et al. NPJ Breast Cancer (2022) 8:126-126. DOI 10.1038/s41523-022-00494-y · PubMed
Other PDB entries of the same protein (UniProt P11802 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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