2026-09-05_00000082
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ligand
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29TM
KAT8 MUTANT (KAT6A SURROGATE, MYST-CRYST) IN COMPLEX WITH KAT6A INHIBITOR BAY-7728;
X-ray diffraction 1.70Å
Protein #1
278 residues (98% resolved)
Raw Sequence ...
GSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Canonical Sequence ...
GSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Non polymer #2
A1J4O
InChI=1S/C20H19FN2O5S/c1-2-27-16-6-3-4-7-19(16)29(25,26)22-20(24)18-12-14-15(21)10-13(11-17(14)28-18)23-8-5-9-23/h3-4,6-7,10-12H,2,5,8-9H2,1H3,(H,22,24)
InChI=1S/C20H19FN2O5S/c1-2-27-16-6-3-4-7-19(16)29(25,26)22-20(24)18-12-14-15(21)10-13(11-17(14)28-18)23-8-5-9-23/h3-4,6-7,10-12H,2,5,8-9H2,1H3,(H,22,24)
SMILES: CCOc1ccccc1S(=O)(=O)NC(=O)c2cc3c(o2)cc(cc3F)N4CCC4
CCOc1ccccc1S(=O)(=O)NC(=O)c2cc3c(o2)cc(cc3F)N4CCC4
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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