8CIE Chain A
Cyclin-dependent kinase-like 5 (CDKL5)
Active — 87.5%DFG-inαC-inType1 · US0
Resolution
2.2 Å
R-value
0.289
Predicted activity confidence87.5%
Structure info
Alternate conformation—
Missing atoms27
Missing residues0
Salt bridge (KinCore)Saltbr-in
Sequence info
PDB sequence
FEILGVVGEGAYGVVLKCRHKETHEIVAIKKFKEVKETTLRELKMLRTLKQENIVELKEAFLYLVFEYVEKNMLELLEEMPNGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISHNDVLKLCDFGFARNLSEGNNANYDEEVATRWYRSPELLLGAPYGKSVDMWSVGCILGELSDGQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNPRFHGLRFPAVNHPQSLERRYLGILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQRLL
UniProt reference sequence
FEILGVVGEGAYGVVLKCRHKETHEIVAIKKFKDSEENEEVKETTLRELKMLRTLKQENIVELKEAFRRRGKLYLVFEYVEKNMLELLEEMPNGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISHNDVLKLCDFGFARNLSEGNNANYTEYVATRWYRSPELLLGAPYGKSVDMWSVGCILGELSDGQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNPRFHGLRFPAVNHPQSLERRYLGILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTF
Aligned reference sequence
FEIL----------------GVVGEGA----------------YGVVLKCRH--KE------------------------------------THEIVAIKKFK--DSEENEEV--------------------------KETTLRELKMLRTL--------------------------KQENIVELKEAFRRRG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLYLVFEYVE---------------KNMLELLEE--MPN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GVPPEKVKSYIYQLIKAIHWCHKN---------------------------------------------DIVHRDI-----KPENLLISH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NDVLKLCDFGFARNLSEGNNA--NY--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TEYVATRWYRSPELLLG--------------------------------APYG-KSVDMWSVGCILGELSDG-----------------QPLFPG--------------------------------------------------ESEIDQLFTIQKV--LGPLPSEQMKLFYSNPRFHGLRFPAVNHPQSLERRYLGILN----------------------------------------------------------------------SVLLDLMKNLLKLDPADRYL--------------TEQCLNHPTF
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
FEIL----------------GVVGEGA----------------YGVVLKCRH--KE------------------------------------THEIVAIKKFK--------EV--------------------------KETTLRELKMLRTL--------------------------KQENIVELKEAF-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LYLVFEYVE---------------KNMLELLEE--MPN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GVPPEKVKSYIYQLIKAIHWCHKN---------------------------------------------DIVHRDI-----KPENLLISH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NDVLKLCDFGFARNLSEGNNA--NY--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DEEVATRWYRSPELLLG--------------------------------APYG-KSVDMWSVGCILGELSDG-----------------QPLFPG--------------------------------------------------ESEIDQLFTIQKV--LGPLPSEQMKLFYSNPRFHGLRFPAVNHPQSLERRYLGILN----------------------------------------------------------------------SVLLDLMKNLLKLDPADRYL--------------TEQCLNHPTF
Activation segment
DFGFARNLSEGNNA--NY--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DEEVATRWYRSPE
Binding pocket
GVVGEGAYGVVLKVAIKKFTTLRELKMLRTLKENIVELKEAYLVFEYVE_KNMLELLEEWCHKNDIVHRDIKPENLLILCDFGFA
Ligand info
Orthosteric ligand
US0
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 8CIE, Chain A