4QPM: Bub1 kinase domain

Structure of Bub1 kinase domain. Determined by X-ray diffraction at 2.2 Å resolution. Released 22 Oct 2014.

Method: X-ray diffraction
Resolution: 2.2 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,645
Mol. weight: 83.31 kDa
Ligands: MG, ADP
Released: 22 Oct 2014

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

Secondary structure: helices and β-sheets

4QPM contains 33 α-helices and 34 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: 16 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	744-752	9
α-helix	758-760	3
β-strand	764-766	3	1
α-helix	770-773	4
β-strand	778-782	5	1
β-strand	785-795	11	1
β-strand	799-805	7	1
β-strand	817-823	7	1
α-helix	828-840	13
α-helix	846-848	3
β-strand	849	1	2
α-helix	850-851	2
β-strand	852-857	6	1
β-strand	862-866	5	1
β-strand	873	1	2
α-helix	874-882	9
α-helix	891-910	20
β-strand	913-914	2	3
α-helix	920-922	3
β-strand	923-925	3	2
α-helix	927-930	4
β-strand	942-944	3	2
β-strand	951-952	2	3
α-helix	953-955	3
β-strand	962	1	4
α-helix	976-978	3
β-strand	982	1	4
α-helix	985-1000	16
β-strand	1006-1009	4	5
β-strand	1012-1015	4	5
α-helix	1025-1036	12
α-helix	1047-1061	15
α-helix	1066-1082	17

Chain B: 17 helices, 17 β-strands

Element	Residues	Length	Sheet
α-helix	744-752	9
α-helix	758-760	3
β-strand	764-766	3	6
α-helix	770-773	4
β-strand	778-782	5	6
β-strand	785-795	11	6
β-strand	799-805	7	6
β-strand	818-823	6	6
α-helix	828-840	13
α-helix	846-848	3
β-strand	849	1	7
α-helix	850-851	2
β-strand	852-857	6	6
β-strand	862-866	5	6
β-strand	873	1	7
α-helix	874-882	9
α-helix	891-910	20
β-strand	913-914	2	8
α-helix	920-922	3
β-strand	923-925	3	7
α-helix	927-930	4
β-strand	942-944	3	7
β-strand	951-952	2	8
α-helix	953-955	3
β-strand	962	1	9
α-helix	976-978	3
β-strand	982	1	9
α-helix	985-1000	16
β-strand	1006-1009	4	10
β-strand	1012-1015	4	10
α-helix	1025-1036	12
α-helix	1047-1061	15
α-helix	1063-1065	3
α-helix	1066-1078	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Mitotic checkpoint serine/threonine-protein kinase BUB1	A, B	protein	356	Homo sapiens	O43683 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4QPM_1 Mitotic checkpoint serine/threonine-protein kinase BUB1 (chains A, B)
GAMDPEFGRPNPWDDKLIFKLLSGLSKPVSSYPNTFEWQCKLPAIKPKTEFQLGSKLVYV
HHLLGEGAFAQVYEATQGDLNDAKNKQKFVLKVQKPANPWEFYIGTQLMERLKPSMQHMF
MKFYSAHLFQNGSVLVGELYSYGTLLNAINLYKNTPEKVMPQGLVISFAMRMLYMIEQVH
DCEIIHGDIKPDNFILGNGFLEQDDEDDLSAGLALIDLGQSIDMKLFPKGTIFTAKCETS
GFQCVEMLSNKPWNYQIDYFGVAATVYCMLFGTYMKVKNEGGECKPEGLFRRLPHLDMWN
EFFHVMLNIPDCHHLPSLDLLRQKLKKVFQQHYTNKIRALRNRLIVLLLECKRSRK

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	4
ADP	Adenosine-5'-diphosphate	C10 H15 N5 O10 P2	2

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

Primary citation

Substrate-Specific Activation of the Mitotic Kinase Bub1 through Intramolecular Autophosphorylation and Kinetochore Targeting. Lin, Z., Jia, L., Tomchick, D.R. et al. Structure (2014) 22:1616-1627. DOI 10.1016/j.str.2014.08.020 · PubMed

Other PDB entries of the same protein (UniProt O43683 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7B1F 1.75 Å, Orthorhombic P212121 Structure of Human Mad1 C-terminal Domain in Complex with…
9RJ4 1.85 Å, Bub1 kinase domain in complex with inhibitor LEI221
6F7B 2.0 Å, Crystal structure of the human Bub1 kinase domain in complex with BAY 1816032
9RJ2 2.3 Å, Bub1 kinase domain in complex with covalent inhibitor BM047
4R8Q 2.31 Å, Structure and substrate recruitment of the human spindle checkpoint kinase bub1
5DMZ 2.4 Å, Structure of human Bub1 kinase domain phosphorylated at Ser969
7B1H 2.4 Å, Monoclinic P21 Structure of Human Mad1 C-terminal Domain in Complex with Phosphorylated…
4A1G 2.6 Å, The crystal structure of the human Bub1 TPR domain in complex with the KI motif of Knl1
7B1J 2.9 Å, Orthorhombic P21212 Structure of Human Mad1 C-terminal Domain in Complex with…
2LAH Solution NMR Structure of Mitotic checkpoint serine/threonine-protein kinase BUB1…

Browse structure collections

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