2026-04-18_00000068|ligand|9H10

Crystal structure of a computationally designed protein bound to a Au-containing cofactor ([(sulfaNHC)Au.TRP]); X-ray diffraction 2.05Å
Protein #1 215 residues (97% resolved)

GGGSGVSLEQALLILSVAALLGTTVEEAVKRALWLKTKLGVSLEQAAFILSVAAYLGTTVEEAVKRALKLKTKLGVSLEQALLILFAAAALGTTVEEAVKRALKLKTKLGVSLEQALLILFTAAELGTTVEEAVKRALKLKTKLGVSLEQAQAILVVAAELGTTVEEAVYRALKLKTKLGVSLEQALLILEVAAKLGTTVEEAVKRALKLKTKLG

GGGSGVSLEQALLILSVAALLGTTVEEAVKRALWLKTKLGVSLEQAAFILSVAAYLGTTVEEAVKRALKLKTKLGVSLEQALLILFAAAALGTTVEEAVKRALKLKTKLGVSLEQALLILFTAAELGTTVEEAVKRALKLKTKLGVSLEQAQAILVVAAELGTTVEEAVYRALKLKTKLGVSLEQALLILEVAAKLGTTVEEAVKRALKLKTKLG
Non polymer #2 A1IRM

InChI=1S/C23H31N4O2S.Au.ClH/c1-14-7-16(3)22(17(4)8-14)26-13-27(23-18(5)9-15(2)10-19(23)6)21-12-25-30(28,29)24-11-20(21)26;;/h7-10,13,20-21,24-25H,11-12H2,1-6H3;;1H/q;+1;/p-1/t20-,21-;;/m1../s1

Cc1cc(c(c(c1)C)N2[C@@H]3CNS(=O)(=O)NC[C@H]3N(C2[Au]Cl)c4c(cc(cc4C)C)C)C
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Reference