3TNI Chain A
Cyclin-dependent kinase 9 (CDK9)
Active — 99.5%DFG-inαC-in
Resolution
3.23 Å
R-value
0.166
Predicted activity confidence99.5%
Structure info
Alternate conformation—
Missing atoms0
Missing residues4
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
SVECPFCDEVSKYEKLAKIGQEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSPNRYNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFFWSDPMPSDLK
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----------------AKIGQ--------------------EVFKARH--RK------------------------------------TGQKVALKKVL--MENEKEGF--------------------------PITALREIKILQLL--------------------------KHENVVNLIEICRT----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SIYLVFDFCE---------------HDLAGLLSN--VLV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFTLSEIKRVMQMLLNGLYYIHRN---------------------------------------------KILHRDM-----KAANVLITR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGVLKLADFGLARAFS--------PNRY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NRVVTLWYRPPELLLG--E-----------------------------RDYG-PPIDLWGAGCIMAEMWTR-----------------SPIMQG--------------------------------------------------NTEQHQLALISQL--CGSITPEVWPNVDNYELYEKLELVKGQ-RKVKDRLKAYVRD----------------------------------------------------------------------PYALDLIDKLLVLDPAQRID--------------SDDALNHDFF
Activation segment
DFGLARAFS--------PNRY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NRVVTLWYRPPE
Binding pocket
AKIGQ____EVFKVALKKVTALREIKILQLLKENVVNLIEIYLVFDFCE_HDLAGLLSNYIHRNKILHRDMKAANVLILADFGLA
Ligand info
Orthosteric ligand
None
Allosteric ligand
None
Ligand typeNo_ligand
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 3TNI, Chain A