6Z45 Chain A
Cyclin-dependent kinase 9 (CDK9)
Active — 98.4%DFG-inαC-inType1 · Q6E
Resolution
3.37 Å
R-value
0.174
Predicted activity confidence98.4%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
YDDNECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQRVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTKCKGSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLFYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLNPNRYNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLAAYVRDPYALDLIDKLLVLDPAQRIDSEDALEHDFFWSDPMPSDLKGML
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------------------------------------TGQRVALKKVL--MENEKEGF--------------------------PITALREIKILQLL--------------------------KHENVVNLIEICRTK--------CKG----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SIYLVFDFCE---------------HDLAGLLSN--VLV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KFTLSEIKRVMQMLLNGLFYIHRN---------------------------------------------KILHRDM-----KAANVLITR--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGVLKLADFGLARAFSL------NPNRY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NRVVTLWYRPPELLLG--E-----------------------------RDYG-PPIDLWGAGCIMAEMWTR-----------------SPIMQG--------------------------------------------------NTEQHQLALISQL--CGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLAAYVRD----------------------------------------------------------------------PYALDLIDKLLVLDPAQRID--------------SEDALEHDFF
Activation segment
DFGLARAFSL------NPNRY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NRVVTLWYRPPE
Binding pocket
AKIGQGTFGEVFKVALKKVTALREIKILQLLKENVVNLIEIYLVFDFCE_HDLAGLLSNYIHRNKILHRDMKAANVLILADFGLA
Ligand info
Orthosteric ligand
Q6E
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 6Z45, Chain A