2026-05-23_00000174|ligand|9RBL

Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide MKV558; X-ray diffraction 2.05Å
Protein #1 256 residues (93% resolved)

GDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFQQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFP

GDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFQQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFP
Non polymer #2 A1H92

InChI=1S/C19H30F2N2O6S2/c1-2-29-17-15(21)18(31(22,27)28)14(20)16(19(17)30(25,26)12-8-11-24)23-13-9-6-4-3-5-7-10-13/h13,23-24H,2-12H2,1H3,(H2,22,27,28)

CCOc1c(c(c(c(c1S(=O)(=O)CCCO)NC2CCCCCCC2)F)S(=O)(=O)N)F
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference