4ZJI Chain C
Serine/threonine-protein kinase PAK 1 (PAK1)
Inactive — 0.3%DFG-outαC-outType3 · 4OQ
Resolution
1.99 Å
R-value
0.192
Predicted activity confidence0.3%
Structure info
Alternate conformationB
Missing atoms15
Missing residues0
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
DEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDATGQEVAIKQMNKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEAT
UniProt reference sequence
YTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFL
Aligned reference sequence
YTRF----------------EKIGQGA----------------SGTVYTAMD--VA------------------------------------TGQEVAIKQMN--LQQQPK----------------------------KELIINEILVMREN--------------------------KNPNIVNYLDSYLVGD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELWVVMEYLAG--------------GSLTDVVTE--T--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CMDEGQIAAVCRECLQALEFLHSN---------------------------------------------QVIHRDI-----KSDNILLGM--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGSVKLTDFGFCAQITPEQSK--R---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------STMVGTPYWMAPEVVTR--------------------------------KAYG-PKVDIWSLGIMAIEMIEG-----------------EPPYLN--------------------------------------------------ENPLRALYLIATN--GTPELQNPEKLS---------------------------------------------------------------------------------------------------AIFRDFLNRCLEMDVEKRGS--------------AKELLQHQFL
Shaded segments mark residues present in the UniProt reference but not resolved in this structure.
Projected alignment
YTRF----------------EKIGQGA----------------SGTVYTAMD---A------------------------------------TGQEVAIKQMN-------K----------------------------KELIINEILVMREN--------------------------KNPNIVNYLDSYLVGD--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELWVVMEYLAG--------------GSLTDVVTE--T--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CMDEGQIAAVCRECLQALEFLHSN---------------------------------------------QVIHRDI-----KSDNILLGM--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGSVKLTDFGFCA-----QSK--R---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------STMVGTPYWMAPEVVTR--------------------------------KAYG-PKVDIWSLGIMAIEMIEG-----------------EPPYLN--------------------------------------------------ENPLRALYLIATN--GTPELQNPEKLS---------------------------------------------------------------------------------------------------AIFRDFLNRCLEMDVEKRGS--------------AKELLQHQFL
Activation segment
DFGFCA-----QSK--R---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------STMVGTPYWMAPE
Binding pocket
EKIGQGASGTVYTVAIKQMLIINEILVMRENKPNIVNYLDSWVVMEYLAGGSLTDVVTEFLHSNQVIHRDIKSDNILLLTDFGFC
Ligand info
Orthosteric ligand
4OQ
Allosteric ligand
None
Ligand typeType3
Consensus conformation
DFG conformationout
αC-helix conformationout
Predicted activityinactive
KinaDB — structure detail · data from Browse_each_pdb_structure.csv · PDB 4ZJI, Chain C