Mark2 complex with 7-[(1S)-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(3-pyridylamino)pyrrolo[2,3-d]pyrimidin-6-one. Determined by X-ray diffraction at 3.2 Å resolution. Released 31 May 2017.
Explore 5KZ7 in 3D Show helices and sheets RCSB PDB PDBe
5KZ7 contains 32 α-helices and 22 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 | 50 | 1 | 1 |
| β-strand | 53-55 | 3 | 1 |
| β-strand | 60 | 1 | 1 |
| β-strand | 65-72 | 8 | 1 |
| β-strand | 77-85 | 9 | 1 |
| α-helix | 91-106 | 16 | |
| β-strand | 112 | 1 | 2 |
| β-strand | 115-120 | 6 | 1 |
| β-strand | 124-130 | 7 | 1 |
| β-strand | 135-136 | 2 | 2 |
| α-helix | 137-143 | 7 | |
| α-helix | 149-168 | 20 | |
| β-strand | 181-183 | 3 | 2 |
| β-strand | 189-191 | 3 | 2 |
| α-helix | 213-215 | 3 | |
| α-helix | 218-220 | 3 | |
| α-helix | 229-245 | 17 | |
| α-helix | 257-264 | 8 | |
| α-helix | 275-284 | 10 | |
| α-helix | 293-294 | 2 | |
| α-helix | 295-298 | 4 | |
| α-helix | 303-305 | 3 | |
| α-helix | 319-321 | 3 | |
| α-helix | 326-334 | 9 | |
| α-helix | 339-347 | 9 | |
| α-helix | 353-361 | 9 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 53-55 | 3 | 3 |
| β-strand | 60 | 1 | 3 |
| β-strand | 65-72 | 8 | 3 |
| β-strand | 77-85 | 9 | 3 |
| α-helix | 86-88 | 3 | |
| α-helix | 91-106 | 16 | |
| β-strand | 112 | 1 | 4 |
| β-strand | 115-120 | 6 | 3 |
| β-strand | 124-130 | 7 | 3 |
| β-strand | 135-136 | 2 | 5 |
| α-helix | 137-143 | 7 | |
| α-helix | 147-148 | 2 | |
| α-helix | 149-168 | 20 | |
| β-strand | 182-183 | 2 | 5 |
| β-strand | 189-190 | 2 | 5 |
| β-strand | 191 | 1 | 4 |
| α-helix | 213-215 | 3 | |
| α-helix | 229-245 | 17 | |
| α-helix | 255-264 | 10 | |
| α-helix | 275-284 | 10 | |
| α-helix | 289-291 | 3 | |
| α-helix | 293-294 | 2 | |
| α-helix | 295-299 | 5 | |
| α-helix | 303-305 | 3 | |
| α-helix | 318-321 | 4 | |
| α-helix | 326-334 | 9 | |
| α-helix | 339-347 | 9 | |
| α-helix | 353-361 | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase MARK2 | A, B | protein | 346 | Homo sapiens | Q7KZI7 (AlphaFold model) |
>5KZ7_1 Serine/threonine-protein kinase MARK2 (chains A, B) MAHNHRHKHADYKDDDDKKLNSATSADEQPHIGNYRLLKTIGKGNFAKVKLARHILTGKE VAVKIIDKTQLNSSSLQKLFREVRIMKVLNHPNIVKLFEVIETEKTLYLVMEYASGGEVF DYLVAHGRMKEKEARAKFRQIVSAVQYCHQKFIVHRDLKAENLLLDADMNIKIADFGFSN EFTFGNKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKEL RERVLRGKYRIPFYMSTDCENLLKKFLILNPSKRGTLEQIMKDRWMNVGHEDDELKPYVE PLPDYKDPRRTELMVSMGYTREEIQDSLVGQRYNEVMATYLLLGYK
| ID | Name | Formula | Copies |
|---|---|---|---|
| 6Z2 | 7-[(1~{S})-1-(4-fluorophenyl)ethyl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2… | C21 H20 F N5 O | 2 |
Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors. Katz, J.D., Haidle, A., Childers, K.K. et al. Bioorg Med Chem Lett (2017) 27:114-120. DOI 10.1016/j.bmcl.2016.08.068 · PubMed
Other PDB entries of the same protein (UniProt Q7KZI7 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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