5DH3: MST2

Crystal structure of MST2 in complex with XMU-MP-1. Determined by X-ray diffraction at 2.47 Å resolution. Released 31 Aug 2016.

Method: X-ray diffraction
Resolution: 2.47 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,722
Mol. weight: 72.44 kDa
Ligands: 5BS
Released: 31 Aug 2016

Explore 5DH3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5DH3 contains 37 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: 18 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	23-26	4
β-strand	27-35	9	1
β-strand	40-46	7	1
β-strand	51-59	9	1
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	107-114	8
α-helix	117-119	3
α-helix	120-139	20
β-strand	142-143	2	3
α-helix	149-151	3
β-strand	152-154	3	2
β-strand	160-162	3	2
β-strand	169-170	2	3
β-strand	178	1	4
α-helix	185-187	3
α-helix	190-194	5
β-strand	198	1	4
α-helix	202-216	15
α-helix	226-235	10
α-helix	237-239	3
α-helix	249-258	10
α-helix	267-268	2
α-helix	269-274	6
α-helix	276-279	4
α-helix	281-283	3
α-helix	284-287	4
α-helix	288-306	19

Chain B: 19 helices, 13 β-strands

Element	Residues	Length	Sheet
α-helix	23-26	4
β-strand	27-36	10	5
β-strand	39-46	8	5
β-strand	52-58	7	5
α-helix	64-76	13
β-strand	82	1	6
α-helix	83-84	2
β-strand	85-91	7	5
β-strand	94-100	7	5
β-strand	105-106	2	6
α-helix	107-114	8
α-helix	117-119	3
α-helix	120-139	20
β-strand	142-143	2	7
α-helix	149-151	3
β-strand	152-154	3	6
β-strand	160-162	3	6
β-strand	169-170	2	7
β-strand	178	1	8
α-helix	185-187	3
α-helix	190-193	4
β-strand	198	1	8
α-helix	202-216	15
α-helix	226-235	10
α-helix	237-239	3
α-helix	249-258	10
α-helix	267-268	2
α-helix	269-273	5
α-helix	276-279	4
α-helix	281-283	3
α-helix	284-287	4
α-helix	288-301	14

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase 3	A, B	protein	315	Homo sapiens	Q13188 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>5DH3_1 Serine/threonine-protein kinase 3 (chains A, B)
GSHMASMTGGQQMGRGSEDSLTKQPEEVFDVLEKLGEGSYGSVFKAIHKESGQVVAIKQV
PVESDLQEIIKEISIMQQCDSPYVVKYYGSYFKNTDLWIVMEYCGAGSVSDIIRLRNKTL
IEDEIATILKSTLKGLEYLHFMRKIHRDIKAGNILLNTEGHAKLADFGVAGQLTDTMAKR
NTVIGTPFWMAPEVIQEIGYNCVADIWSLGITSIEMAEGKPPYADIHPMRAIFMIPTNPP
PTFRKPELWSDDFTDFVKKCLVKNPEQRATATQLLQHPFIKNAKPVSILRDLITEAMEIK
AKRHEEQQRELEEEE

Ligands and cofactors

ID	Name	Formula	Copies
5BS	4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazep…	C17 H16 N6 O3 S2	2

Water and common crystallization additives (CL, SO4) are not listed.

Primary citation

Pharmacological targeting of kinases MST1 and MST2 augments tissue repair and regeneration. Fan, F., He, Z., Kong, L.L. et al. Sci Transl Med (2016) 8:352ra108-352ra108. DOI 10.1126/scitranslmed.aaf2304 · PubMed

Other PDB entries of the same protein (UniProt Q13188 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4L0N 1.4 Å, Crystal structure of STK3 (MST2) SARAH domain
4HKD 1.5 Å, Crystal structure of human MST2 SARAH domain
6AR2 1.55 Å, Structure of human SLMAP FHA domain in complex with pMST2
4OH9 1.7 Å, Crystal Structure of the human MST2 SARAH homodimer
8A66 1.9 Å, Crystal structure of MST2 in complex with XMU-MP-1
3WWS 2.01 Å, Crystal structure of Serine/threonine-protein kinase 3
4LG4 2.42 Å, Structural Basis for Autoactivation of Human Mst2 Kinase and Its Regulation by RASSF5
5BRM 2.65 Å, Structural basis for Mob1-dependent activation of the core Mst-Lats kinase cascade in…
6AO5 2.96 Å, Crystal structure of human MST2 in complex with SAV1 SARAH domain
4LGD 3.05 Å, Structural Basis for Autoactivation of Human Mst2 Kinase and Its Regulation by RASSF5

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