2025-06-14_00000058
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ligand
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9CUE
Human STING H232R variant bound to ABZI;
X-ray diffraction 1.95Å
Protein #1
210 residues (79% resolved)
Raw Sequence ...
MGSSHHHHHHSSGETVRFQGHMSVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRFLDKLPQQTGDRAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSREDRLEQAKLFCRTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEV
Canonical Sequence ...
MGSSHHHHHHSSGETVRFQGHMSVAHGLAWSYYIGYLRLILPELQARIRTYNQHYNNLLRGAVSQRLYILLPLDCGVPDNLSMADPNIRFLDKLPQQTGDRAGIKDRVYSNSIYELLENGQRAGTCVLEYATPLQTLFAMSQYSQAGFSREDRLEQAKLFCRTLEDILADAPESQNNCRLIAYQEPADDSSFSLSQEVLRHLRQEEKEEV
Non polymer #2
A1A4X
InChI=1S/C27H31N7O5/c1-4-34-21(13-17(2)32-34)25(36)31-26-30-20-14-19(24(28)35)15-22(38-3)23(20)33(26)12-8-11-29-27(37)39-16-18-9-6-5-7-10-18/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3,(H2,28,35)(H,29,37)(H,30,31,36)
InChI=1S/C27H31N7O5/c1-4-34-21(13-17(2)32-34)25(36)31-26-30-20-14-19(24(28)35)15-22(38-3)23(20)33(26)12-8-11-29-27(37)39-16-18-9-6-5-7-10-18/h5-7,9-10,13-15H,4,8,11-12,16H2,1-3H3,(H2,28,35)(H,29,37)(H,30,31,36)
SMILES: CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CCCNC(=O)OCc4ccccc4)OC)C(=O)N
CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CCCNC(=O)OCc4ccccc4)OC)C(=O)N
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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