7B36: MST4

MST4 in complex with compound G-5555. Determined by X-ray diffraction at 2.11 Å resolution. Released 16 Dec 2020.

Method: X-ray diffraction
Resolution: 2.11 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,323
Mol. weight: 68.93 kDa
Ligands: 59T
Released: 16 Dec 2020

Explore 7B36 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7B36 contains 34 α-helices and 18 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, 9 β-strands

Element	Residues	Length	Sheet
α-helix	20-23	4
β-strand	24-31	8	1
β-strand	37-43	7	1
β-strand	49-56	8	1
α-helix	61-63	3
α-helix	64-76	13
β-strand	82	1	2
β-strand	85-91	7	1
β-strand	94-100	7	1
β-strand	105-106	2	2
α-helix	107-111	5
α-helix	115-117	3
α-helix	118-137	20
α-helix	147-149	3
β-strand	150-152	3	2
β-strand	158-160	3	2
α-helix	163-165	3
α-helix	188-191	4
α-helix	199-214	16
α-helix	224-233	10
α-helix	235-237	3
α-helix	245-254	10
α-helix	259-261	3
α-helix	263-264	2
α-helix	265-268	4
α-helix	272-277	6
α-helix	282-296	15

Chain C: 16 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	20-23	4
β-strand	24-31	8	3
β-strand	37-43	7	3
β-strand	49-56	8	3
α-helix	64-75	12
β-strand	82	1	4
β-strand	85-91	7	3
β-strand	94-100	7	3
β-strand	105-106	2	4
α-helix	107-111	5
α-helix	118-137	20
α-helix	147-149	3
β-strand	150-152	3	4
β-strand	158-160	3	4
α-helix	163-165	3
α-helix	188-191	4
α-helix	199-214	16
α-helix	224-233	10
α-helix	235-237	3
α-helix	245-254	10
α-helix	259-261	3
α-helix	263-264	2
α-helix	265-268	4
α-helix	272-277	6
α-helix	282-296	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase 26	A, C	protein	301	Homo sapiens	Q9P289 (AlphaFold model)

Sequence of entity 1 (A, C), FASTA

>7B36_1 Serine/threonine-protein kinase 26 (chains A, C)
SMAHSPVAVQVPGMQNNIADPEELFTKLERIGKGSFGEVFKGIDNRTQQVVAIKIIDLEE
AEDEIEDIQQEITVLSQCDSSYVTKYYGSYLKGSKLWIIMEYLGGGSALDLLRAGPFDEF
QIATMLKEILKGLDYLHSEKKIHRDIKAANVLLSEQGDVKLADFGVAGQLTDTQIKRNTF
VGTPFWMAPEVIQQSAYDSKADIWSLGITAIELAKGEPPNSDMHPMRVLFLIPKNNPPTL
VGDFTKSFKEFIDACLNKDPSFRPTAKELLKHKFIVKNSKKTSYLTELIDRFKRWKAEGH
S

Ligands and cofactors

ID	Name	Formula	Copies
59T	8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)p…	C25 H25 Cl N6 O3	2

Water and common crystallization additives (CL, EDO) are not listed.

Primary citation

Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors. Tesch, R., Rak, M., Raab, M. et al. J Med Chem (2021) 64:8142-8160. DOI 10.1021/acs.jmedchem.0c02144 · PubMed

Other PDB entries of the same protein (UniProt Q9P289 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5YF4 1.9 Å, A kinase complex MST4-MOB4
4GEH 1.95 Å, Crystal structure of MST4 dimerization domain complex with PDCD10
5XY9 2.3 Å, Structure of the MST4 and 14-3-3 complex
3GGF 2.35 Å, Crystal structure of human Serine/threonine-protein kinase MST4 in complex with an…
3W8I 2.4 Å, Crystal structure of CCM3 in complex with the C-terminal regulatory domain of MST4
4FZA 3.15 Å, Crystal structure of MST4-MO25 complex
4FZD 3.25 Å, Crystal structure of MST4-MO25 complex with WSF motif
4FZF 3.64 Å, Crystal structure of MST4-MO25 complex with DKI

Browse structure collections

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