4R8Q Chain A
Mitotic checkpoint serine/threonine-protein kinase BUB1 (BUB1)
Inactive — 5.5%DFG-inαC-inATPlike · ADP
Resolution
2.31 Å
R-value
0.226
Predicted activity confidence5.5%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
FIVGNPWDDKLIFKLLSGLSKPVSSYPNTFEWQCKLPAIKPKTEFQLGSKLVYVHHLLGEGAFAQVYEATQQKFVLKVQKPANPWEFYIGTQLMERLKPSMQHMFMKFYSAHLFQNGSVLVGELYSYGTLLNAINLYKNTPEKVMPQGLVISFAMRMLYMIEQVHDCEIIHGDIKPDNFILGNGFLESAGLALIDLGQSIDMKLFPKGTIFTAKCETSGFQCVEMLSNKPWNYQIDYFGVAATVYCMLFGTYMKVKNEGGECKPEGLFRRLPHLDMWNEFFHVMLNIPDCHHLPSLDLLRQKLKKVFQQHYTNKIRALRNRLIVLLLECKRS
UniProt reference sequence
VYVHHLLGEGAFAQVYEATQGDLNDAKNKQKFVLKVQKPANPWEFYIGTQLMERLKPSMQHMFMKFYSAHLFQNGSVLVGELYSYGTLLNAINLYKNTPEKVMPQGLVISFAMRMLYMIEQVHDCEIIHGDIKPDNFILGNGFLEQDDEDDLSAGLALIDLGQSIDMKLFPKGTIFTAKCETSGFQCVEMLSNKPWNYQIDYFGVAATVYCMLFGTYMKVKNEGGECKPEGLFRRLPHLDMWNEFFHVMLNIPDCHHLPSLDLLRQKLKK
Aligned reference sequence
VYVH----------------HLLGEGA----------------FAQVYEATQ--GDLNDAK-------------------------------NKQKFVLKVQ-------------------------------------KPANPWEFYIGTQL--MERLKPS-----------------MQHMFMKFYSAHLFQN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSVLVGELYSY--------------GTLLNAINL--YKNTPEK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VMPQGLVISFAMRMLYMIEQVHDC---------------------------------------------EIIHGDI-----KPDNFILGN--GFLEQDDEDDL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SAGLALIDLGQSIDMKLFPKG--TIF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TAKCETSGFQCVEMLSN--------------------------------KPWN-YQIDYFGVAATVYCMLFG----------------------------------------------------------------------------------------TYMKVKNEGGECKPEGLFRRLPHL---------------------------------------------------------------------------------------DMWNEFFHVMLNIPDCHHLP--S-----------LDLLRQKLKK
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
VYVH----------------HLLGEGA----------------FAQVYEATQ------------------------------------------QKFVLKVQ-------------------------------------KPANPWEFYIGTQL--MERLKPS-----------------MQHMFMKFYSAHLFQN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSVLVGELYSY--------------GTLLNAINL--YKNTPEK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VMPQGLVISFAMRMLYMIEQVHDC---------------------------------------------EIIHGDI-----KPDNFILGN--GFLE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SAGLALIDLGQSIDMKLFPKG--TIF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TAKCETSGFQCVEMLSN--------------------------------KPWN-YQIDYFGVAATVYCMLFG----------------------------------------------------------------------------------------TYMKVKNEGGECKPEGLFRRLPHL---------------------------------------------------------------------------------------DMWNEFFHVMLNIPDCHHLP--S-----------LDLLRQKLKK
Activation segment
DLGQSIDMKLFPKG--TIF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TAKCETSGFQCVE
Binding pocket
HLLGEGAFAQVYEFVLKVQIGTQLMERLKPSMHMFMKFYSAVLVGELYSYGTLLNAINLQVHDCEIIHGDIKPDNFILLIDLGQS
Ligand info
Orthosteric ligand
ADP
Allosteric ligand
None
Ligand typeATPlike
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4R8Q, Chain A