2025-06-14_00000056
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ligand
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9CUC
Human STING G230A/R293Q variant bound to THIQi;
X-ray diffraction 2.10Å
Protein #1
210 residues (76% resolved)
Raw Sequence ...
MGSSHHHHHHSSGETVRFQGHMSVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRFLDKLPQQTADRAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSREDRLEQAKLFCQTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEV
Canonical Sequence ...
MGSSHHHHHHSSGETVRFQGHMSVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRFLDKLPQQTADRAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSREDRLEQAKLFCQTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEV
Non polymer #2
A1A4R
InChI=1S/C28H26ClNO5/c1-28(2,3)20-10-9-17(15-21(20)29)30-25(16-8-11-22-23(14-16)35-13-12-34-22)24(27(32)33)18-6-4-5-7-19(18)26(30)31/h4-11,14-15,24-25H,12-13H2,1-3H3,(H,32,33)/t24-,25+/m0/s1
InChI=1S/C28H26ClNO5/c1-28(2,3)20-10-9-17(15-21(20)29)30-25(16-8-11-22-23(14-16)35-13-12-34-22)24(27(32)33)18-6-4-5-7-19(18)26(30)31/h4-11,14-15,24-25H,12-13H2,1-3H3,(H,32,33)/t24-,25+/m0/s1
SMILES: CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc5c(c4)OCCO5
CC(C)(C)c1ccc(cc1Cl)N2[C@@H]([C@H](c3ccccc3C2=O)C(=O)O)c4ccc5c(c4)OCCO5
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Biounit #3
homo-dimer
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Model
Reference
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