4UAL Chain A
Serine/threonine-protein kinase MRCK beta (CDC42BPB)
Active — 98.1%DFG-inαC-inType1 · 3FV
Resolution
1.71 Å
R-value
0.206
Predicted activity confidence98.1%
Structure info
Alternate conformationB
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
GGSSAKVRLKKLEQLLLDGPWRNESALSVETLLDVLVCLYTECSHSALRRDKYVAEFLEWAKPFTQLVKEMQLHREDFEIIKVIGRGAFGEVAVVKMKNTERIYAMKILNKWEMLKRAETACFREERDVLVNGDCQWITALHYAFQDENHLYLVMDYYVGGDLLTLLSKFEDKLPEDMARFYIGEMVLAIDSIHQLHYVHRDIKPDNVLLDVNGHIRLADFGSCLKMNDDGTVVAVGTPDYISPEILQAMEDGKYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHEERFQFPSHVTDVSEEAKDLIQRLICSRERRLGQNGIEDFKKHAFFEGLNWENIRNLEAPYIPDVSSPSDTSNFDVILPPHTGFSGLHLPFIGFTFTTESCFSDRGSLKS
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-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAVGTPDYISPEILQA--MED---------------------------GKYG-PECDWWSLGVCMYEMLYG-----------------ETPFYA--------------------------------------------------ESLVETYGKIMNH--EERFQFPSHVTDVS-------------------------------------------------------------------------------------------------EEAKDLIQRLIC-SRERRLG--QNG---------IEDFKKHAFF
Activation segment
DFGSCLKMNDDGTV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAVGTPDYISPE
Binding pocket
KVIGRGAFGEVAVYAMKILCFREERDVLVNGDQWITALHYAYLVMDYYVGGDLLTLLSKSIHQLHYVHRDIKPDNVLLLADFGSC
Ligand info
Orthosteric ligand
3FV
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 4UAL, Chain A