4WB7: PDB entry 4WB7

Crystal structure of a chimeric fusion of human DnaJ (Hsp40) and cAMP-dependent protein kinase A (catalytic alpha subunit). Determined by X-ray diffraction at 1.9 Å resolution. Released 21 Jan 2015.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 4
Atoms: 8,153
Mol. weight: 101.63 kDa
Ligands: ATP, ZN
Released: 21 Jan 2015

Explore 4WB7 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4WB7 contains 45 α-helices and 26 β-strands across 4 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	4-8	5
α-helix	16-30	15
α-helix	40-54	15
α-helix	57-86	30
α-helix	95-97	3
β-strand	98-106	9	1
β-strand	111-117	7	1
β-strand	123-130	8	1
α-helix	131-136	6
α-helix	140-150	11
β-strand	158	1	2
β-strand	161-166	6	1
β-strand	170-176	7	1
α-helix	177	1
β-strand	182	1	2
α-helix	183-190	8
α-helix	195-214	20
β-strand	217-218	2	3
α-helix	224-226	3
β-strand	227-229	3	2
β-strand	235-237	3	2
β-strand	244-245	2	3
β-strand	250	1	4
α-helix	257-259	3
α-helix	262-265	4
β-strand	270	1	4
α-helix	273-288	16
α-helix	298-307	10
α-helix	318-327	10
α-helix	332-334	3
α-helix	344-347	4
α-helix	350-352	3
α-helix	357-361	5
α-helix	366-367	2

Chain B: 20 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	4-8	5
α-helix	16-30	15
α-helix	40-54	15
α-helix	57-86	30
α-helix	95-97	3
β-strand	98-106	9	5
β-strand	111-117	7	5
β-strand	123-130	8	5
α-helix	131-136	6
α-helix	140-150	11
β-strand	158	1	6
β-strand	161-166	6	5
β-strand	170-176	7	5
β-strand	182	1	6
α-helix	183-190	8
α-helix	195-214	20
β-strand	217-218	2	7
α-helix	224-226	3
β-strand	227-229	3	6
β-strand	235-237	3	6
β-strand	244-245	2	7
β-strand	250	1	8
α-helix	257-259	3
α-helix	262-265	4
β-strand	270	1	8
α-helix	273-288	16
α-helix	298-307	10
α-helix	318-327	10
α-helix	332-334	3
α-helix	344-347	4
α-helix	350-352	3
α-helix	357-361	5
α-helix	366-367	2

Chain I: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	6-11	6
α-helix	20-22	3

Chain J: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	6-13	8
α-helix	20-22	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha	A, B	protein	405	Homo sapiens	P17612 (AlphaFold model), P25685 (AlphaFold model)
PKI (5-24)	I, J	protein	20	Homo sapiens	P61925 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4WB7_1 DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha (chains A, B)
GKDYYQTLGLARGASDEEIKRAYRRQALRYHPDKNKEPGAEEKFKEIAEAYDVLSDPRKR
EIFDRYGEEVKEFLAKAKEDFLKKWESPAQNTAHLDQFERIKTLGTGSFGRVMLVKHKET
GNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVPG
GEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDF
GFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQ
IYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAI
YQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFSEF

Sequence of entity 2 (I, J), FASTA

>4WB7_2 PKI (5-24) (chains I, J)
TTYADFIASGRTGRRNAIHD

Ligands and cofactors

ID	Name	Formula	Copies
ATP	Adenosine-5'-triphosphate	C10 H16 N5 O13 P3	2
ZN	Zinc ion	Zn	15

Primary citation

Structural insights into mis-regulation of protein kinase A in human tumors. Cheung, J., Ginter, C., Cassidy, M. et al. Proc Natl Acad Sci U S A (2015) 112:1374-1379. DOI 10.1073/pnas.1424206112 · 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
5IZJ 1.85 Å, Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1411
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.

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