2026-02-07_00000131
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ligand
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9OOD
Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10c;
X-ray diffraction 2.20Å
Protein #1
295 residues (91% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Non polymer #2
A1CDI
InChI=1S/C18H18FN3O4S/c1-3-26-13-8-11(2)17(19)15(9-13)18(23)21-22-27(24,25)14-5-4-12-6-7-20-16(12)10-14/h4-10,20,22H,3H2,1-2H3,(H,21,23)
InChI=1S/C18H18FN3O4S/c1-3-26-13-8-11(2)17(19)15(9-13)18(23)21-22-27(24,25)14-5-4-12-6-7-20-16(12)10-14/h4-10,20,22H,3H2,1-2H3,(H,21,23)
SMILES: CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3cc[nH]c3c2)F)C
CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccc3cc[nH]c3c2)F)C
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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