2026-09-05_00000088
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ligand
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29UU
KAT8 MUTANT (KAT6A SURROGATE, MYST-CRYST) IN COMPLEX WITH KAT6A INHIBITOR Example-41;
X-ray diffraction 1.30Å
Protein #1
278 residues (97% resolved)
Raw Sequence ...
GSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDH(ALY)TLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Canonical Sequence ...
GSTKVKYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPPK
Non polymer #2
A1J4U
InChI=1S/C19H15IN4O4S/c20-13-6-7-15-16(10-13)29(26,27)24-17(23-15)18(25)22-11-14(19-21-8-9-28-19)12-4-2-1-3-5-12/h1-10,14H,11H2,(H,22,25)(H,23,24)/t14-/m0/s1
InChI=1S/C19H15IN4O4S/c20-13-6-7-15-16(10-13)29(26,27)24-17(23-15)18(25)22-11-14(19-21-8-9-28-19)12-4-2-1-3-5-12/h1-10,14H,11H2,(H,22,25)(H,23,24)/t14-/m0/s1
SMILES: c1ccc(cc1)[C@H](CNC(=O)C2=Nc3ccc(cc3S(=O)(=O)N2)I)c4ncco4
c1ccc(cc1)[C@H](CNC(=O)C2=Nc3ccc(cc3S(=O)(=O)N2)I)c4ncco4
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #5
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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