2025-03-29_00000314
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ligand
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9D4V
Structure of PAK1 in complex with compound 7;
X-ray diffraction 1.84Å
Protein #1
297 residues (98% resolved)
Raw Sequence ...
SDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRNIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSEMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATKNNH
Canonical Sequence ...
SDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIKQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRNIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSEMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLEMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATKNNH
Non polymer #2
A1A2P
InChI=1S/C17H24N6S/c18-13-5-1-11(2-6-13)9-20-16-19-8-7-15(22-16)23-17-21-10-14(24-17)12-3-4-12/h7-8,10-13H,1-6,9,18H2,(H2,19,20,21,22,23)/t11-,13+
InChI=1S/C17H24N6S/c18-13-5-1-11(2-6-13)9-20-16-19-8-7-15(22-16)23-17-21-10-14(24-17)12-3-4-12/h7-8,10-13H,1-6,9,18H2,(H2,19,20,21,22,23)/t11-,13+
SMILES: c1cnc(nc1Nc2ncc(s2)C3CC3)NCC4CCC(CC4)N
c1cnc(nc1Nc2ncc(s2)C3CC3)NCC4CCC(CC4)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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