8A5J: Human STE20-like kinase 1, MST1

Crystal structure of Human STE20-like kinase 1, MST1 in complex with compound XMU-MP-1. Determined by X-ray diffraction at 2.12 Å resolution. Released 13 Jul 2022.

Method: X-ray diffraction
Resolution: 2.12 Å
Organism: Homo sapiens
Chains: 2
Atoms: 4,369
Mol. weight: 64.86 kDa
Ligands: 5BS
Released: 13 Jul 2022

Explore 8A5J in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8A5J 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: 19 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	129-134	6	1
α-helix	135	1
β-strand	143-148	6	1
β-strand	154-160	7	1
α-helix	166-177	12
β-strand	184	1	2
α-helix	185-186	2
β-strand	187-193	7	1
β-strand	196-202	7	1
β-strand	207-208	2	2
α-helix	209-216	8
α-helix	219-221	3
α-helix	222-241	20
β-strand	244-245	2	3
α-helix	251-253	3
β-strand	254-256	3	2
β-strand	262-264	3	2
β-strand	271-272	2	3
β-strand	280	1	4
α-helix	287-289	3
α-helix	292-295	4
β-strand	300	1	4
α-helix	304-318	15
α-helix	328-334	7
α-helix	339-341	3
α-helix	346-348	3
α-helix	351-360	10
α-helix	369-370	2
α-helix	371-374	4
α-helix	378-381	4
α-helix	386-389	4
α-helix	390-406	17

Chain B: 18 helices, 13 β-strands

Element	Residues	Length	Sheet
β-strand	134	1	5
β-strand	144	1	5
β-strand	155-156	2	6
α-helix	169-177	9
β-strand	184	1	7
α-helix	185-186	2
β-strand	187	1	6
β-strand	201-202	2	6
β-strand	207-208	2	7
α-helix	209-216	8
α-helix	219-221	3
α-helix	222-241	20
β-strand	244-245	2	8
α-helix	251-253	3
β-strand	254-256	3	7
β-strand	262-264	3	7
β-strand	271-272	2	8
β-strand	280	1	9
α-helix	287-289	3
α-helix	292-295	4
β-strand	300	1	9
α-helix	304-318	15
α-helix	328-334	7
α-helix	339-341	3
α-helix	346-348	3
α-helix	351-360	10
α-helix	369-370	2
α-helix	371-374	4
α-helix	378-381	4
α-helix	386-389	4
α-helix	390-406	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase 4 37kDa subunit	A, B	protein	282	Homo sapiens	Q13043 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>8A5J_1 Serine/threonine-protein kinase 4 37kDa subunit (chains A, B)
EVFDVLEKLGEGSYGSVYKAIHKETGQIVAIKQVPVESDLQEIIKEISIMQQCDSPHVVK
YYGSYFKNTDLWIVMEYCGAGSVSDIIRLRNKTLTEDEIATILQSTLKGLEYLHFMRKIH
RDIKAGNILLNTEGHAKLADFGVAGQLTDTMAKRNTVIGTPFWMAPEVIQEIGYNCVADI
WSLGITAIEMAEGKPPYADIHPMRAIFMIPTNPPPTFRKPELWSDNFTDFVKQCLVKSPE
QRATATQLLQHPFVRSAKGVSILRDLINEAMDVKLKRQESQQ

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

Primary citation

Crystal structure of the Kelch domain of human Keap1in complex with ligand S217879. Weber, C., Vuillard, L., Delerive, P. et al. To be published.

Other PDB entries of the same protein (UniProt Q13043 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8PAV 1.9 Å, Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
4NR2 2.0 Å, Crystal structure of STK4 (MST1) SARAH domain
8PAW 2.14 Å, Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
3COM 2.2 Å, Crystal structure of Mst1 kinase
4OH8 2.28 Å, Crystal Structure of the human MST1-RASSF5 SARAH heterodimer
5TWG 2.3 Å, human MOB1A bound to human MST1 phosphorylated T353 peptide
9VX3 2.39 Å, Crystal structure of the peptide-bound form of HisMab-1 Fv-clasp
5TWH 2.5 Å, human MOB1A bound to MST1 phosphorylated T367 peptide
7CEA 2.55 Å, Crystal structure of HUTS-4 Fv-clasp fragment
6YAT 2.58 Å, Crystal structure of STK4 (MST1) in complex with compound 6
9IIC 2.78 Å, Crystal structure of HOIP RING2-LDD in complex with STK4 KD domain
7CEB 2.89 Å, Crystal structure of alpha6beta1 integrin headpiece

Browse structure collections

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