5O2B: Serine/threonine-protein kinase WNK3

Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121. Determined by X-ray diffraction at 2.04 Å resolution. Released 28 Jun 2017.

Method: X-ray diffraction
Resolution: 2.04 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,330
Mol. weight: 65.97 kDa
Ligands: KS1
Released: 28 Jun 2017

Explore 5O2B in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5O2B contains 31 α-helices and 20 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: 18 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	132-135	4
β-strand	137-140	4	1
β-strand	146-155	10	1
β-strand	159-166	8	1
β-strand	172-178	7	1
α-helix	185-200	16
β-strand	206	1	2
α-helix	207-208	2
β-strand	209-215	7	1
β-strand	222-228	7	1
β-strand	234	1	2
α-helix	235-240	6
α-helix	247-265	19
α-helix	278-280	3
β-strand	281-284	4	2
β-strand	289-292	4	2
α-helix	298-300	3
α-helix	313-315	3
α-helix	318-320	3
α-helix	328-343	16
α-helix	354-362	9
α-helix	368-371	4
α-helix	376-385	10
α-helix	390-392	3
α-helix	394-395	2
α-helix	396-400	5
α-helix	403-405	3
α-helix	411-413	3

Chain B: 13 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	137-140	4	3
β-strand	146-156	11	3
β-strand	159-166	8	3
β-strand	171-179	9	3
α-helix	185-198	14
β-strand	206	1	4
β-strand	209-217	9	3
β-strand	220-228	9	3
β-strand	234	1	4
α-helix	235-239	5
α-helix	247-265	19
α-helix	278-280	3
β-strand	281-284	4	4
β-strand	289-292	4	4
α-helix	297-300	4
α-helix	313-315	3
α-helix	318-321	4
α-helix	327-343	17
α-helix	354-362	9
α-helix	368-371	4
α-helix	378-383	6
α-helix	396-401	6
α-helix	403-405	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase WNK3	A, B	protein	285	Homo sapiens	Q9BYP7 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5O2B_1 Serine/threonine-protein kinase WNK3 (chains A, B)
SMEAEMKAVATSPSGRFLKFDIELGRGAFKTVYKGLDTETWVEVAWCELQDRKLTKAEQQ
RFKEEAEMLKGLQHPNIVRFYDSWESILKGKKCIVLVTELMTSGTLKTYLKRFKVMKPKV
LRSWCRQILKGLQFLHTRTPPIIHRDLKCDNIFITGPTGSVKIGDLGLATLMRTSFAKSV
IGTPEFMAPEMYEEHYDESVDVYAFGMCMLEMATSEYPYSECQNAAQIYRKVTSGIKPAS
FNKVTDPEVKEIIEGCIRQNKSERLSIRDLLNHAFFAEDTGLRVE

Ligands and cofactors

ID	Name	Formula	Copies
KS1	1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-a…	C17 H17 N7	2

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

Primary citation

Crystal structure of WNK3 kinase domain in a diphosphorylated state and in a complex with the inhibitor PP-121. Pinkas, D.M., Daubner, G.M., Bufton, J.C. et al. To be published.

Other PDB entries of the same protein (UniProt Q9BYP7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5O1V 1.72 Å, Crystal structure of WNK3 kinase domain in a monophosphorylated apo state (A-loop swapped)
5O21 2.06 Å, Crystal structure of WNK3 kinase domain in a monophosphorylated state with chloride…
5O23 2.25 Å, Crystal structure of WNK3 kinase domain in a monophosphorylated apo state
5O26 2.38 Å, Crystal structure of WNK3 kinase domain in a diphosphorylated state and in complex with…
5O2C 2.4 Å, Crystal structure of WNK3 kinase and CCT1 didomain in a unphosphorylated state
5NKP 2.8 Å, Crystal structure of the human KLHL3 Kelch domain in complex with a WNK3 peptide
8EDH 3.11 Å, Identification of a class of WNK isoform-specific inhibitors through high-throughput…
9D7Q 3.3 Å, Water and chloride as allosteric inhibitors in WNK kinase osmosensing

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