2025-07-26_00000314
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ligand
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9R59
Crystal structure of MAPKAPK2 with a covalent compound GCL334 targeting lysine;
X-ray diffraction 3.00Å
Protein #1
320 residues (88% resolved)
Raw Sequence ...
GHMVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTGHNSLTTPCYTPYYVAPEVLGPEKYDKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSALATMR
Canonical Sequence ...
GHMVKSGLQIKKNAIIDDYKVTSQVLGLGINGKVLQIFNKRTQEKFALKMLQDCPKARREVELHWRASQCPHIVRIVDVYENLYAGRKCLLIVMECLDGGELFSRIQDRGDQAFTEREASEIMKSIGEAIQYLHSINIAHRDVKPENLLYTSKRPNAILKLTDFGFAKETTGHNSLTTPCYTPYYVAPEVLGPEKYDKSCDMWSLGVIMYILLCGYPPFYSNHGLAISPGMKTRIRMGQYEFPNPEWSEVSEEVKMLIRNLLKTEPTQRMTITEFMNHPWIMQSTKVPQTPLHTSRVLKEDKERWEDVKEEMTSALATMR
Non polymer #2
A1JH4
InChI=1S/C27H27ClN4O6S/c28-23-9-4-19(17-26(23)38-39(34,35)36)24-10-11-25(37-24)27(33)32(18-20-3-1-2-12-30-20)22-7-5-21(6-8-22)31-15-13-29-14-16-31/h1-12,17,29,34-36H,13-16,18H2
InChI=1S/C27H27ClN4O6S/c28-23-9-4-19(17-26(23)38-39(34,35)36)24-10-11-25(37-24)27(33)32(18-20-3-1-2-12-30-20)22-7-5-21(6-8-22)31-15-13-29-14-16-31/h1-12,17,29,34-36H,13-16,18H2
SMILES: c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(c(c5)OS(O)(O)O)Cl
c1ccnc(c1)CN(c2ccc(cc2)N3CCNCC3)C(=O)c4ccc(o4)c5ccc(c(c5)OS(O)(O)O)Cl
Biounit #1
monomer
Download coordinates
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Model
Reference
100%