5DEY: PAK1

Crystal structure of PAK1 in complex with an inhibitor compound G-5555. Determined by X-ray diffraction at 2.1 Å resolution. Released 27 Jan 2016.

Method

X-ray diffraction

Resolution

2.1 Å

Organism

Homo sapiens

Chains

2

Atoms

4,762

Mol. weight

67.56 kDa

Ligands

59T

Released

27 Jan 2016

Explore 5DEY in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5DEY contains 42 α-helices and 23 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 21 helices, 14 β-strands

Molecules and chains

>5DEY_1 Serine/threonine-protein kinase PAK 1 (chains A, B)
SDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQQQPK
KELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAA
VCRECLQALEFLHSNQVIHRNIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSEMVGTP
YWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPE
KLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATKNNH

Ligands and cofactors

Primary citation

Design of Selective PAK1 Inhibitor G-5555: Improving Properties by Employing an Unorthodox Low-pK a Polar Moiety. Ndubaku, C.O., Crawford, J.J., Drobnick, J. et al. ACS Med Chem Lett (2015) 6:1241-1246. DOI 10.1021/acsmedchemlett.5b00398 · PubMed

Related structures

Other PDB entries of the same protein (UniProt Q13153 (AlphaFold model), which also has an AlphaFold model), best resolution first:

• 3FXZ 1.64 Å, Crystal structure of PAK1 kinase domain with ruthenium complex lambda-FL172
• 2QME 1.75 Å, Crystal structure of human RAC3 in complex with CRIB domain of human p21-activated…
• 9N4U 1.77 Å, Crystal structure of PAK1 bound to compound R1
• 1YHV 1.8 Å, Crystal Structure of PAK1 kinase domain with two point mutations (K299R, T423E)
• 1YHW 1.8 Å, Crystal Structure of PAK1 kinase domain with one point mutations (K299R)
• 8X5Z 1.8 Å, The Crystal Structure of PAK1 kinase domain from Biortus.
• 3Q52 1.8 Å, Structure of phosphorylated PAK1 kinase domain
• 9D4V 1.84 Å, Structure of PAK1 in complex with compound 7
• 9D4X 1.85 Å, Structure of PAK1 in complex with compound 16
• 9D4Y 1.85 Å, Structure of PAK1 in complex with compound 31
• 9N48 1.85 Å, Crystal structure of PAK1 bound to compound C1
• 3Q4Z 1.89 Å, Structure of unphosphorylated PAK1 kinase domain

Browse structure collections

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