3BLR Chain A
Cyclin-dependent kinase 9 (CDK9)
Active — 99.9%DFG-inαC-inType1 · CPB
Resolution
2.8 Å
R-value
0.176
Predicted activity confidence99.9%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
SVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAPNRYNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFFWSDPMPSDLKG
UniProt reference sequence
YEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAKNSQPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFF
Aligned reference sequence
YEKL----------------AKIGQGT----------------FGEVFKARH--RK------------------------------------TGQKVALKKVL--MENEKEGF--------------------------PITALREIKILQLL--------------------------KHENVVNLIEICRTKA--SPYNRCKG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SIYLVFDFCE---------------HDLAGLLSN--VLV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFTLSEIKRVMQMLLNGLYYIHRN---------------------------------------------KILHRDM-----KAANVLITR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGVLKLADFGLARAFSLAKNS--QPNRY-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TNRVVTLWYRPPELLLG--E-----------------------------RDYG-PPIDLWGAGCIMAEMWTR-----------------SPIMQG--------------------------------------------------NTEQHQLALISQL--CGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRD----------------------------------------------------------------------PYALDLIDKLLVLDPAQRID--------------SDDALNHDFF
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YEKL----------------AKIGQGT----------------FGEVFKARH--RK------------------------------------TGQKVALKKVL--MENEKEGF--------------------------PITALREIKILQLL--------------------------KHENVVNLIEICRT----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SIYLVFDFCE---------------HDLAGLLSN--VLV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFTLSEIKRVMQMLLNGLYYIHRN---------------------------------------------KILHRDM-----KAANVLITR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGVLKLADFGLARAFSLA------PNRY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NRVVTLWYRPPELLLG--E-----------------------------RDYG-PPIDLWGAGCIMAEMWTR-----------------SPIMQG--------------------------------------------------NTEQHQLALISQL--CGSITPEVWPNVDNYELYEKLELV-----KVKDRLKAYVRD----------------------------------------------------------------------PYALDLIDKLLVLDPAQRID--------------SDDALNHDFF
Activation segment
DFGLARAFSLA------PNRY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NRVVTLWYRPPE
Binding pocket
AKIGQGTFGEVFKVALKKVTALREIKILQLLKENVVNLIEIYLVFDFCE_HDLAGLLSNYIHRNKILHRDMKAANVLILADFGLA
Ligand info
Orthosteric ligand
CPB
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 3BLR, Chain A