2026-07-04_00000179
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ligand
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9VOB
Co-crystal structure of MAP4K6 in complex with compound 22;
X-ray diffraction 2.12Å
Protein #1
304 residues (87% resolved)
Raw Sequence ...
ARSLDDIDLSALRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTEDEEEEIKQEINMLKKYSHHRNIATYYGAFIKKSPPGNDDQLWLVMEFCGAGSVTDLVKNTKGNALKEDCIAYICREILRGLAHLHAHKVIHRDIKGQNVLLTENAEVKLVDFGVSAQLDRTVGRRNAFIGTPYWMAPEVIACDENPDATYDYRSDIWSLGITAIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFIDFIDTCLIKTYLSRPPTEQLLKFPFIRDQPTERQVRIQLKDHIDRSR
Canonical Sequence ...
ARSLDDIDLSALRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTEDEEEEIKQEINMLKKYSHHRNIATYYGAFIKKSPPGNDDQLWLVMEFCGAGSVTDLVKNTKGNALKEDCIAYICREILRGLAHLHAHKVIHRDIKGQNVLLTENAEVKLVDFGVSAQLDRTVGRRNAFIGTPYWMAPEVIACDENPDATYDYRSDIWSLGITAIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFIDFIDTCLIKTYLSRPPTEQLLKFPFIRDQPTERQVRIQLKDHIDRSR
Non polymer #2
A1EUL
InChI=1S/C23H23BrN8O2S/c1-32-10-7-14-3-4-16(11-15(14)13-32)28-23-27-12-17(24)22(30-23)29-19-6-5-18-20(26-9-8-25-18)21(19)31-35(2,33)34/h3-6,8-9,11-12,31H,7,10,13H2,1-2H3,(H2,27,28,29,30)
InChI=1S/C23H23BrN8O2S/c1-32-10-7-14-3-4-16(11-15(14)13-32)28-23-27-12-17(24)22(30-23)29-19-6-5-18-20(26-9-8-25-18)21(19)31-35(2,33)34/h3-6,8-9,11-12,31H,7,10,13H2,1-2H3,(H2,27,28,29,30)
SMILES: CN1CCc2ccc(cc2C1)Nc3ncc(c(n3)Nc4ccc5c(c4NS(=O)(=O)C)nccn5)Br
CN1CCc2ccc(cc2C1)Nc3ncc(c(n3)Nc4ccc5c(c4NS(=O)(=O)C)nccn5)Br
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%