2026-03-07_00000028
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ligand
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22TG
Crystal Structure of MYST histone acetyltransferase KAT6A in complex with Compound 20;
X-ray diffraction 2.40Å
Protein #1
295 residues (88% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSWVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSWVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Non polymer #2
A1MDU
InChI=1S/C21H20N4O6S/c1-28-15-5-3-6-16(29-2)20(15)32(26,27)24-21-18-17(31-23-21)11-13(12-25-9-4-8-22-25)14-7-10-30-19(14)18/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,23,24)
InChI=1S/C21H20N4O6S/c1-28-15-5-3-6-16(29-2)20(15)32(26,27)24-21-18-17(31-23-21)11-13(12-25-9-4-8-22-25)14-7-10-30-19(14)18/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,23,24)
SMILES: COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCC4)Cn5cccn5)on2)OC
COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCC4)Cn5cccn5)on2)OC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%