5KBR Chain A
Serine/threonine-protein kinase PAK 1 (PAK1)
Active — 58.4%DFG-inαC-inType1 · IPW
Resolution
2.36 Å
R-value
0.198
Predicted activity confidence58.4%
Structure info
Alternate conformation—
Missing atoms0
Missing residues1
Salt bridge (KinCore)Saltbr-out
Sequence info
PDB sequence
EKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAEVAIKQELIINEILVMRENKNPNIVNYLDSYWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRNIKSDNILLGMDGSVKLTDFGFCAKRSEMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLDMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATK
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----------------SGTVYTA---------------------------------------------EVAIKQ---------------------------------------ELIINEILVMREN--------------------------KNPNIVNYLDSY--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WVVMEYLAG--------------GSLTDVVTE--T--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------CMDEGQIAAVCRECLQALEFLHSN---------------------------------------------QVIHRNI-----KSDNILLGM--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGSVKLTDFGFCA-------K--R---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SEMVGTPYWMAPEVVTR--------------------------------KAYG-PKVDIWSLGIMAIEMIEG-----------------EPPYLN--------------------------------------------------ENPLRALYLIATN--GTPELQNPEKLS---------------------------------------------------------------------------------------------------AIFRDFLNRCLDMDVEKRGS--------------AKELLQHQFL
Activation segment
DFGFCA-------K--R---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SEMVGTPYWMAPE
Binding pocket
EKIGQGASGTVYTVAIKQ_LIINEILVMRENKPNIVNYLDSWVVMEYLAGGSLTDVVTEFLHSNQVIHRNIKSDNILLLTDFGFC
Ligand info
Orthosteric ligand
IPW
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 5KBR, Chain A