8BUI Chain B
Cyclin-dependent kinase 12 (CDK12)
Active — 99.1%DFG-inαC-inType1 · RV6
Resolution
3.5 Å
R-value
0.184
Predicted activity confidence99.1%
Structure info
Alternate conformation—
Missing atoms0
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
TESDWGKRCVDKFDIIGIIGEGTYGQVYKAKDKDTGELVALKKVRLDNEKEGFPITAIREIKILRQLIHRSVVNMKEIVTDKQDALDFKKDKGAFYLVFEYMDHDLMGLLESGLVHFSEDHIKSFMKQLMEGLEYCHKKNFLHRDIKCSNILLNNSGQIKLADFGLARLYNSEESRPYNKVITLWYRPPELLLGEERYTPAIDVWSCGCILGELFTKKPIFQANLELAQLELISRLCGSPCPAVWPDVIRLPYFNTMKPKKQYRRRLREEFSFIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFLKDVELSKMAPPDLPHWQDCHE
UniProt reference sequence
FDIIGIIGEGTYGQVYKAKDKDTGELVALKKVRLDNEKEGFPITAIREIKILRQLIHRSVVNMKEIVTDKQDALDFKKDKGAFYLVFEYMDHDLMGLLESGLVHFSEDHIKSFMKQLMEGLEYCHKKNFLHRDIKCSNILLNNSGQIKLADFGLARLYNSEESRPYTNKVITLWYRPPELLLGEERYTPAIDVWSCGCILGELFTKKPIFQANLELAQLELISRLCGSPCPAVWPDVIKLPYFNTMKPKKQYRRRLREEFSFIPSAALDLLDHMLTLDPSKRCTAEQTLQSDFL
Aligned reference sequence
FDII----------------GIIGEGT----------------YGQVYKAKD--KD------------------------------------TGELVALKKVR--LDNEKEGF--------------------------PITAIREIKILRQL--------------------------IHRSVVNMKEIVTDKQ--DALDFKKDKG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AFYLVFEYMD---------------HDLMGLLES--GLV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HFSEDHIKSFMKQLMEGLEYCHKK---------------------------------------------NFLHRDI-----KCSNILLNN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGQIKLADFGLARLYNSEESR--PY--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TNKVITLWYRPPELLLG--E-----------------------------ERYT-PAIDVWSCGCILGELFTK-----------------KPIFQA--------------------------------------------------NLELAQLELISRL--CGSPCPAVWPDVIKLPYFNTMKPKKQYRRRLREEFSFIP------------------------------------------------------------------------SAALDLLDHMLTLDPSKRCT--------------AEQTLQSDFL
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
FDII----------------GIIGEGT----------------YGQVYKAKD--KD------------------------------------TGELVALKKVR--LDNEKEGF--------------------------PITAIREIKILRQL--------------------------IHRSVVNMKEIVTDKQ--DALDFKKDKG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AFYLVFEYMD---------------HDLMGLLES--GLV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HFSEDHIKSFMKQLMEGLEYCHKK---------------------------------------------NFLHRDI-----KCSNILLNN--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGQIKLADFGLARLYNSEESR--PY---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKVITLWYRPPELLLG--E-----------------------------ERYT-PAIDVWSCGCILGELFTK-----------------KPIFQA--------------------------------------------------NLELAQLELISRL--CGSPCPAVWPDVIRLPYFNTMKPKKQYRRRLREEFSFIP------------------------------------------------------------------------SAALDLLDHMLTLDPSKRCT--------------AEQTLQSDFL
Activation segment
DFGLARLYNSEESR--PY---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKVITLWYRPPE
Binding pocket
GIIGEGTYGQVYKVALKKVTAIREIKILRQLIRSVVNMKEIYLVFEYMD_HDLMGLLESYCHKKNFLHRDIKCSNILLLADFGLA
Ligand info
Orthosteric ligand
RV6
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 8BUI, Chain B