5IZJ: PDB entry 5IZJ

Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411. Determined by X-ray diffraction at 1.85 Å resolution. Released 20 Jul 2016.

Method: X-ray diffraction
Resolution: 1.85 Å
Organism: Homo sapiens
Chains: 4
Atoms: 6,384
Mol. weight: 85.99 kDa
Ligands: 6J9, PO4
Released: 20 Jul 2016

Explore 5IZJ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5IZJ contains 42 α-helices and 26 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.

Chain A: 21 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	15-31	17
α-helix	33-36	4
α-helix	40-42	3
β-strand	43-51	9	1
β-strand	55-62	8	1
β-strand	68-75	8	1
α-helix	76-81	6
α-helix	85-97	13
β-strand	103	1	2
β-strand	106-111	6	1
β-strand	115-121	7	1
β-strand	127	1	2
α-helix	128-135	8
α-helix	138-139	2
α-helix	140-159	20
β-strand	162-163	2	3
α-helix	169-171	3
β-strand	172-174	3	2
β-strand	180-182	3	2
β-strand	189-190	2	3
β-strand	195	1	4
α-helix	202-204	3
α-helix	207-210	4
β-strand	215	1	4
α-helix	218-233	16
α-helix	243-252	10
α-helix	256-258	3
α-helix	263-272	10
α-helix	277-279	3
α-helix	289-292	4
α-helix	295-297	3
α-helix	302-306	5
α-helix	311-312	2
α-helix	345-347	3

Chain B: 21 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	15-31	17
α-helix	40-42	3
β-strand	43-51	9	5
β-strand	55-62	8	5
β-strand	68-75	8	5
α-helix	76-81	6
α-helix	85-97	13
β-strand	103	1	6
α-helix	104-105	2
β-strand	106-111	6	5
β-strand	115-121	7	5
β-strand	127	1	6
α-helix	128-135	8
α-helix	137-139	3
α-helix	140-159	20
β-strand	162-163	2	7
α-helix	169-171	3
β-strand	172-174	3	6
β-strand	180-182	3	6
β-strand	189-190	2	7
β-strand	195	1	8
α-helix	202-204	3
α-helix	207-210	4
β-strand	215	1	8
α-helix	218-233	16
α-helix	243-252	10
α-helix	256-258	3
α-helix	263-272	10
α-helix	277-279	3
α-helix	289-292	4
α-helix	295-297	3
α-helix	302-306	5
α-helix	311-312	2
α-helix	316-318	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
cAMP-dependent protein kinase catalytic subunit alpha	A, B	protein	351	Homo sapiens	P17612 (AlphaFold model)
47P-AZ1-dar-dar	G	protein	5	Homo sapiens
47P-AZ1-dar-dar-dar	F	protein	6	Homo sapiens

Sequence of entity 1 (A, B), FASTA

>5IZJ_1 cAMP-dependent protein kinase catalytic subunit alpha (chains A, B)
MGNAAAAKKGSEQESVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTLGTGSFGRVML
VKHKETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMV
MEYVPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGY
IQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFF
ADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFAT
TDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF

Sequence of entity 2 (G), FASTA

>5IZJ_2 47P-AZ1-DAR-DAR (chains G)
XXRRX

Sequence of entity 3 (F), FASTA

>5IZJ_3 47P-AZ1-DAR-DAR-DAR (chains F)
XXRRRX

Ligands and cofactors

ID	Name	Formula	Copies
6J9	4-(piperazin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine	C10 H13 N5	2
PO4	Phosphate ion	O4 P	26

Primary citation

Bifunctional Ligands for Inhibition of Tight-Binding Protein-Protein Interactions. Ivan, T., Enkvist, E., Viira, B. et al. Bioconjug Chem (2016) 27:1900-1910. DOI 10.1021/acs.bioconjchem.6b00293 · PubMed

Other PDB entries of the same protein (UniProt P17612 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4WB8 1.55 Å, Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit),…
3OVV 1.58 Å, Human cAMP-dependent protein kinase in complex with an inhibitor
3POO 1.6 Å, human cAMP-dependent protein kinase in complex with an inhibitor
4WB5 1.64 Å, Crystal structure of human cAMP-dependent protein kinase A (catalytic alpha subunit)
6QJ7 1.69 Å, Difluorophenyl diacylhydrazides: Potent inhibitors of Serum- and…
3AMA 1.75 Å, Protein kinase A sixfold mutant model of Aurora B with inhibitor JNJ-7706621
4UJ1 1.77 Å, Protein Kinase A in complex with an Inhibitor
4UJ9 1.87 Å, Protein Kinase A in complex with an Inhibitor
3OWP 1.88 Å, Human cAMP-dependent protein kinase in complex with an inhibitor
6FRX 1.88 Å, PKA variant as Aurora B mimic in complex with a dianilinopyrimidine inhibitor
5BX6 1.89 Å, PKA in complex with a halogenated phthalazinone fragment compound.
5BX7 1.89 Å, PKA in complex with a benzothiophene fragment compound.

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