6F7B Chain A
Mitotic checkpoint serine/threonine-protein kinase BUB1 (BUB1)
Active — 99.7%DFG-inαC-inType1 · CVQ
Resolution
2.0 Å
R-value
0.201
Predicted activity confidence99.7%
Structure info
Alternate conformationB
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
APNFIVGNPWDDKLIFKLLSGLSKPVSSYPNTFEWQCKLPAIKPKTEFQLGSKLVYVHHLLGEGAFAQVYEATQKNKQKFVLKVQKPANPWEFYIGTQLMERLKPSMQHMFMKFYSAHLFQNGSVLVGELYSYGTLLNAINLYKNTPEKVMPQGLVISFAMRMLYMIEQVHDCEIIHGDIKPDNFILGNGFLEQDDEDDLSAGLALIDLGQSIDMKLFPKGTIFTAKCETGFQCVEMLSNKPWNYQIDYFGVAATVYCMLFGTYMKVKNEECKPEGLFRRLPHLDMWNEFFHVMLNIPDCHHLPSLDLLRQKLKKVFQQHYTNKIRALRNRLIVLLLECKRS
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--------K-------------------------------NKQKFVLKVQ-------------------------------------KPANPWEFYIGTQL--MERLKPS-----------------MQHMFMKFYSAHLFQN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GSVLVGELYSY--------------GTLLNAINL--YKNTPEK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VMPQGLVISFAMRMLYMIEQVHDC---------------------------------------------EIIHGDI-----KPDNFILGN--GFLEQDDEDDL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SAGLALIDLGQSIDMKLFPKG--TIF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TAKCET-GFQCVEMLSN--------------------------------KPWN-YQIDYFGVAATVYCMLFG----------------------------------------------------------------------------------------TYMKVKNE--ECKPEGLFRRLPHL---------------------------------------------------------------------------------------DMWNEFFHVMLNIPDCHHLP--S-----------LDLLRQKLKK
Activation segment
DLGQSIDMKLFPKG--TIF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TAKCET-GFQCVE
Binding pocket
HLLGEGAFAQVYEFVLKVQIGTQLMERLKPSMHMFMKFYSAVLVGELYSYGTLLNAINLQVHDCEIIHGDIKPDNFILLIDLGQS
Ligand info
Orthosteric ligand
CVQ
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 6F7B, Chain A