4GV1: PKB alpha

PKB alpha in complex with AZD5363. Determined by X-ray diffraction at 1.49 Å resolution. Released 27 Feb 2013.

Method: X-ray diffraction
Resolution: 1.49 Å
Organism: Homo sapiens
Chains: 1
Atoms: 3,232
Mol. weight: 40.19 kDa
Ligands: 0XZ
Released: 27 Feb 2013

Explore 4GV1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4GV1 contains 20 α-helices and 14 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.

Chain A: 20 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	147-149	3
β-strand	150-158	9	1
β-strand	162-169	8	1
β-strand	175-182	8	1
α-helix	183-188	6
α-helix	192-204	13
β-strand	210	1	2
α-helix	211-212	2
β-strand	213-218	6	1
β-strand	222-227	6	1
β-strand	233-234	2	2
α-helix	235-242	8
α-helix	247-268	22
β-strand	271	1	3
α-helix	277-279	3
β-strand	280-282	3	2
β-strand	288-290	3	2
β-strand	297	1	3
β-strand	306	1	4
α-helix	313-315	3
α-helix	318-322	5
β-strand	326	1	4
α-helix	330-344	15
α-helix	354-363	10
α-helix	364-366	3
α-helix	374-383	10
α-helix	388-390	3
α-helix	399-403	5
α-helix	406-408	3
α-helix	413-417	5
α-helix	422-423	2
α-helix	440-443	4
α-helix	446-447	2
β-strand	473-475	3	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
RAC-alpha serine/threonine-protein kinase	A	protein	340	Homo sapiens	P31749 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4GV1_1 RAC-alpha serine/threonine-protein kinase (chains A)
LGSRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENR
VLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSA
LDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEV
LEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLL
SGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDE
EFTAQMITITPPDQDDSMECVDSERRPHFPQFDYSASSTA

Ligands and cofactors

ID	Name	Formula	Copies
0XZ	4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimid…	C21 H25 Cl N6 O2	1

Water and common crystallization additives (GOL) are not listed.

Primary citation

Discovery of 4-Amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an Orally Bioavailable, Potent Inhibitor of Akt Kinases. Addie, M., Ballard, P., Buttar, D. et al. J Med Chem (2013) 56:2059-2073. DOI 10.1021/jm301762v · PubMed

Other PDB entries of the same protein (UniProt P31749 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1UNQ 0.98 Å, High resolution crystal structure of the Pleckstrin Homology Domain Of Protein Kinase…
1UNR 1.25 Å, Crystal structure of the PH domain of PKB alpha in complex with a sulfate molecule
7MYX 1.39 Å, Crystal structure of the PH domain (R86A) of Akt1
1H10 1.4 Å, High resolution structure of the pleckstrin homology domain of protein kinase b/akt…
8JOW 1.4 Å, Crystal structure of rabbit antibody with phosphorylated peptide bound
1UNP 1.65 Å, Crystal structure of the pleckstrin homology domain of PKB alpha
3QKL 1.9 Å, Spirochromane Akt Inhibitors
7NH5 1.9 Å, Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6
8UW9 1.9 Å, Structure of AKT1(E17K) with compound 4
9TMV 1.9 Å, Akt1 mutant in complex with the 3-ethyl 1-methyl 1,4-substituted pyrazole containing…
2UVM 1.94 Å, Structure of PKBalpha PH domain in complex with a novel inositol headgroup surrogate,…
2UZR 1.94 Å, A transforming mutation in the pleckstrin homology domain of AKT1 in cancer (AKT1-PH_E17K)

Browse structure collections

About this viewer

MolViewer shows 4GV1 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.