2025-05-31_00000232|ligand|9J2W

Human cGAS catalytic domain bound with XL-3156; X-ray diffraction 2.20Å
Protein #1 366 residues (92% resolved)

DAAPGASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF

DAAPGASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNTGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKENPLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEGNGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDEF
Non polymer #2 A1EAH

InChI=1S/C28H23N9O2/c1-15-22(25(38)36(34-15)27-30-17-9-3-4-10-18(17)31-27)24(21-13-7-8-14-29-21)23-16(2)35-37(26(23)39)28-32-19-11-5-6-12-20(19)33-28/h3-14,24,38-39H,1-2H3,(H,30,31)(H,32,33)

Cc1c(c(n(n1)c2[nH]c3ccccc3n2)O)C(c4ccccn4)c5c(nn(c5O)c6[nH]c7ccccc7n6)C
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference