3TKU Chain A
Serine/threonine-protein kinase MRCK beta (CDC42BPB)
Active — 99.9%DFG-inαC-inType1,Allosteric · M77
Resolution
2.15 Å
R-value
0.223
Predicted activity confidence99.9%
Structure info
Alternate conformation—
Missing atoms6
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
SAKVRLKKLEQLLLDGPWRNESALSVETLLDVLVCLYTECSHSALRRDKYVAEFLEWAKPFTQLVKEMQLHREDFEIIKVIGRGAFGEVAVVKMKNTERIYAMKILNKWEMLKRAETACFREERDVLVNGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIHQLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVQSSVAVGTPDYISPEILQAMEDGMGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLICSRERRLGQNGIEDFKKHAFFEGLNWENIRNLEAPYIPDVSSPSDTSNFDVSGLHLPFIGFTFTTESCFSDRGSL
UniProt reference sequence
FEIIKVIGRGAFGEVAVVKMKNTERIYAMKILNKWEMLKRAETACFREERDVLVNGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIHQLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVQSSVAVGTPDYISPEILQAMEDGMGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLICSRERRLGQNGIEDFKKHAFF
Aligned reference sequence
FEII----------------KVIGRGA----------------FGEVAVVKM--KN------------------------------------TERIYAMKILN--KWEMLKRAE-------------------------TACFREERDVLVNG--------------------------DCQWITALHYAFQDEN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HLYLVMDYYVG--------------GDLLTLLSK--FED------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLPEDMARFYIGEMVLAIDSIHQL---------------------------------------------HYVHRDI-----KPDNVLLDV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NGHIRLADFGSCLKMNDDGTV--QS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SVAVGTPDYISPEILQA--MEDGM-------------------------GKYG-PECDWWSLGVCMYEMLYG-----------------ETPFYA--------------------------------------------------ESLVETYGKIMNH--EERFQFPSHVTDVS-------------------------------------------------------------------------------------------------EEAKDLIQRLIC-SRERRLG--QNG---------IEDFKKHAFF
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
FEII----------------KVIGRGA----------------FGEVAVVKM--KN------------------------------------TERIYAMKILN--KWEMLKRAE-------------------------TACFREERDVLVNG--------------------------DCQWITALHYAFQDEN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HLYLVMDYYVG--------------GDLLTLLSK--FED------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLPEDMARFYIGEMVLAIDSIHQL---------------------------------------------HYVHRDI-----KPDNVLLDV--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NGHIRLADFGSCLKMNDDGTV--QS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SVAVGTPDYISPEILQA--MEDGM-------------------------GKYG-PECDWWSLGVCMYEMLYG-----------------ETPFYA--------------------------------------------------ESLVETYGKIMNH--EERFQFPSHVTDVS-------------------------------------------------------------------------------------------------EEAKDLIQRLIC-SRERRLG--QNG---------IEDFKKHAFF
Activation segment
DFGSCLKMNDDGTV--QS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SVAVGTPDYISPE
Binding pocket
KVIGRGAFGEVAVYAMKILCFREERDVLVNGDQWITALHYAYLVMDYYVGGDLLTLLSKSIHQLHYVHRDIKPDNVLLLADFGSC
Ligand info
Orthosteric ligand
M77
Allosteric ligand
M77
Ligand typeType1,Allosteric
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3TKU, Chain A