4BGQ Chain A
Cyclin-dependent kinase-like 5 (CDKL5)
Inactive — 0.6%DFG-inαC-inType1 · 38R
Resolution
2.0 Å
R-value
0.175
Predicted activity confidence0.6%
Structure info
Alternate conformationB
Missing atoms18
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
VMNKFEILGVVGEGAYGVVLKCRHKETHEIVAIKKFKVKETTLRELKMLRTLKQENIVELKEAFRRRGKLYLVFEYVEKNMLELLEEMPNGVPPEKVKSYIYQLIKAIHWCHKNDIVHRDIKPENLLISHNDVLKLCDFGFARNLSETRWYRSPELLLGAPYGKSVDMWSVGCILGELSDGQPLFPGESEIDQLFTIQKVLGPLPSEQMKLFYSNPRFHGLRFPAVNHPQSLERRYLGILNSVLLDLMKNLLKLDPADRYLTEQCLNHPTFQTQRL
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---------V--------------------------KETTLRELKMLRTL--------------------------KQENIVELKEAFRRRG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KLYLVFEYVE---------------KNMLELLEE--MPN------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GVPPEKVKSYIYQLIKAIHWCHKN---------------------------------------------DIVHRDI-----KPENLLISH--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NDVLKLCDFGFARNLSE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRWYRSPELLLG--------------------------------APYG-KSVDMWSVGCILGELSDG-----------------QPLFPG--------------------------------------------------ESEIDQLFTIQKV--LGPLPSEQMKLFYSNPRFHGLRFPAVNHPQSLERRYLGILN----------------------------------------------------------------------SVLLDLMKNLLKLDPADRYL--------------TEQCLNHPTF
Activation segment
DFGFARNLSE---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------TRWYRSPE
Binding pocket
GVVGEGAYGVVLKVAIKKFTTLRELKMLRTLKENIVELKEAYLVFEYVE_KNMLELLEEWCHKNDIVHRDIKPENLLILCDFGFA
Ligand info
Orthosteric ligand
38R
Allosteric ligand
None
Ligand typeType1
Consensus conformation
DFG conformationin
αC-helix conformationin
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4BGQ, Chain A