Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure. Determined by X-ray diffraction at 2.65 Å resolution. Released 26 Jul 2017.
Explore 5UVC in 3D Show helices and sheets RCSB PDB PDBe
5UVC contains 33 α-helices and 12 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 |
|---|---|---|---|
| α-helix | 34-36 | 3 | |
| α-helix | 37-39 | 3 | |
| α-helix | 40-49 | 10 | |
| α-helix | 55-59 | 5 | |
| α-helix | 62-74 | 13 | |
| α-helix | 76-78 | 3 | |
| α-helix | 80-93 | 14 | |
| α-helix | 103-108 | 6 | |
| α-helix | 109-113 | 5 | |
| α-helix | 114-117 | 4 | |
| α-helix | 147-156 | 10 | |
| α-helix | 157-161 | 5 | |
| α-helix | 162-166 | 5 | |
| α-helix | 169-182 | 14 | |
| α-helix | 188-190 | 3 | |
| β-strand | 191-199 | 9 | 1 |
| β-strand | 203-210 | 8 | 1 |
| β-strand | 216-223 | 8 | 1 |
| α-helix | 224-230 | 7 | |
| α-helix | 233-246 | 14 | |
| β-strand | 254 | 1 | 2 |
| β-strand | 257-262 | 6 | 1 |
| β-strand | 266-271 | 6 | 1 |
| β-strand | 278 | 1 | 2 |
| α-helix | 279-286 | 8 | |
| α-helix | 291-310 | 20 | |
| β-strand | 313-314 | 2 | 3 |
| α-helix | 320-322 | 3 | |
| β-strand | 323-325 | 3 | 2 |
| β-strand | 331-333 | 3 | 2 |
| β-strand | 340-341 | 2 | 3 |
| α-helix | 359-362 | 4 | |
| α-helix | 371-386 | 16 | |
| α-helix | 399-408 | 10 | |
| α-helix | 419-428 | 10 | |
| α-helix | 433-435 | 3 | |
| α-helix | 444-448 | 5 | |
| α-helix | 451-453 | 3 | |
| α-helix | 458-463 | 6 | |
| α-helix | 467-468 | 2 | |
| α-helix | 472-474 | 3 | |
| α-helix | 500-503 | 4 | |
| β-strand | 511-512 | 2 | 1 |
| α-helix | 514-524 | 11 | |
| α-helix | 526-535 | 10 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | A | protein | 547 | Homo sapiens | P25098 (AlphaFold model) |
>5UVC_1 Beta-adrenergic receptor kinase 1 (chains A) MSYYHHHHHHDYDIPTTENLYFQGAMEPGGSTPAARASKKILLPEPSIRSVMQKYLEDRG EVTFEKIFSQKLGYLLFRDFCLNHLEEARPLVEFYEEIKKYEKLETEEERVARSREIFDS YIMKELLACSHPFSKSATEHVQGHLGKKQVPPDLFQPYIEEICQNLRGDVFQKFIESDKF TRFCQWKNVELNIHLTMNDFSVHRIIGRGGFGEVYGCRKADTGKMYAMKCLDKKRIKMKQ GETLALNERIMLSLVSTGDCPFIVCMSYAFHTPDKLSFILDLMNGGDLHYHLSQHGVFSE ADMRFYAAEIILGLEHMHNRFVVYRDLKPANILLDEHGHVRISDLGLACDFSKKKPHASV GTHGYMAPEVLQKGVAYDSSADWFSLGCMLFKLLRGHSPFRQHKTKDKHEIDRMTLTMAV ELPDSFSPELRSLLEGLLQRDVNRRLGCLGRGAQEVKESPFFRSLDWQMVFLQKYPPPLI PPRGEVNAADAFDIGSFDEEDTKGIKLLDSDQELYRNFPLTISERWQQEVAETVFDTINA ETDRLEA
| ID | Name | Formula | Copies |
|---|---|---|---|
| 8PV | N-benzyl-3-({[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}amino)benzamide | C22 H20 N6 O | 1 |
Water and common crystallization additives (SO4) are not listed.
Design, Synthesis, and Evaluation of the Highly Selective and Potent G-Protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure. Okawa, T., Aramaki, Y., Yamamoto, M. et al. J Med Chem (2017) 60:6942-6990. DOI 10.1021/acs.jmedchem.7b00443 · PubMed
Other PDB entries of the same protein (UniProt P25098 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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