9RJ2: Bub1 kinase domain

Bub1 kinase domain in complex with covalent inhibitor BM047. Determined by X-ray diffraction at 2.3 Å resolution. Released 24 Jun 2026.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,811
Mol. weight: 84.72 kDa
Ligands: A1JG6
Released: 24 Jun 2026

Explore 9RJ2 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9RJ2 contains 36 α-helices and 36 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, 18 β-strands

Element	Residues	Length	Sheet
β-strand	736-738	3	1
α-helix	744-753	10
α-helix	758-760	3
β-strand	764-766	3	2
β-strand	778-782	5	2
β-strand	785-796	12	2
β-strand	799-805	7	2
β-strand	817-823	7	2
α-helix	828-840	13
α-helix	843-848	6
β-strand	849	1	3
β-strand	852-857	6	2
β-strand	862-866	5	2
α-helix	867-869	3
β-strand	872-873	2	3
α-helix	874-882	9
α-helix	891-910	20
β-strand	913-914	2	4
α-helix	920-922	3
β-strand	923-925	3	3
β-strand	942-944	3	3
β-strand	951-952	2	4
α-helix	953-955	3
β-strand	960-962	3	1
α-helix	964-966	3
α-helix	971-973	3
α-helix	974-977	4
β-strand	982	1	1
α-helix	985-1000	16
β-strand	1006-1007	2	5
α-helix	1009-1011	3
β-strand	1014-1015	2	5
α-helix	1025-1036	12
α-helix	1044-1046	3
α-helix	1047-1061	15
α-helix	1066-1077	12

Chain B: 18 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	736-738	3	6
α-helix	744-753	10
α-helix	758-760	3
β-strand	764-766	3	7
β-strand	778-782	5	7
β-strand	785-796	12	7
β-strand	799-805	7	7
β-strand	817-823	7	7
α-helix	828-840	13
α-helix	843-848	6
β-strand	849	1	8
β-strand	852-857	6	7
β-strand	862-867	6	7
α-helix	868-869	2
β-strand	872-873	2	8
α-helix	874-882	9
α-helix	891-910	20
β-strand	913-914	2	9
α-helix	920-922	3
β-strand	923-925	3	8
β-strand	942-944	3	8
β-strand	951-952	2	9
α-helix	953-955	3
β-strand	960-962	3	6
α-helix	964-966	3
α-helix	970-973	4
α-helix	974-977	4
β-strand	982	1	6
α-helix	985-1000	16
β-strand	1006-1007	2	10
β-strand	1014-1015	2	10
α-helix	1025-1036	12
α-helix	1044-1046	3
α-helix	1047-1061	15
α-helix	1063-1065	3
α-helix	1066-1077	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Mitotic checkpoint serine/threonine-protein kinase BUB1	A, B	protein	364	Homo sapiens	O43683 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>9RJ2_1 Mitotic checkpoint serine/threonine-protein kinase BUB1 (chains A, B)
GPGMSSLGTVDAPNFIVGNPWDDKLIFKLLSGLSKPVSSYPNTFEWQCKLPAIKPKTEFQ
LGSKLVYVHHLLGEGAFAQVYEATQGDLNDAKNKQKFVLKVQKPANPWEFYIGTQLMERL
KPSMQHMFMKFYSAHLFQNGSVLVGELYSYGTLLNAINLYKNTPEKVMPQGLVISFAMRM
LYMIEQVHDCEIIHGDIKPDNFILGNGFLEQDDEDDLSAGLALIDLGQSIDMKLFPKGTI
FTAKCETSGFQCVEMLSNKPWNYQIDYFGVAATVYCMLFGTYMKVKNEGGECKPEGLFRR
LPHLDMWNEFFHVMLNIPDCHHLPSLDLLRQKLKKVFQQHYTNKIRALRNRLIVLLLECK
RSRK

Ligands and cofactors

ID	Name	Formula	Copies
A1JG6	(2~{R})-~{N}-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-prop-2-ynoxy-quinazol…	C24 H20 Cl F2 N5 O3	2

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

Primary citation

Bub1 kinase domain in complex with covalent inhibitor BM047. Konijnenberg, M.J. To be published.

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
4QPM 2.2 Å, Structure of Bub1 kinase domain
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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