2025-09-13_00000184
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ligand
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9R30
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide;
X-ray diffraction 2.00Å
Protein #1
256 residues (93% resolved)
Raw Sequence ...
GDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFQQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFP
Canonical Sequence ...
GDQSHWRYGGDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPGLEMALGPGREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFQQTVMLSAKQLHTLSDTLWGPGDSRLQLNFRATQPLNGRVIEASFP
Non polymer #2
A1JC2
InChI=1S/C19H29F2N3O6S2/c1-31(27,28)19-16(23-10-2-6-12(25)7-3-10)14(20)18(32(22,29)30)15(21)17(19)24-11-4-8-13(26)9-5-11/h10-13,23-26H,2-9H2,1H3,(H2,22,29,30)/t10-,11-,12-,13+
InChI=1S/C19H29F2N3O6S2/c1-31(27,28)19-16(23-10-2-6-12(25)7-3-10)14(20)18(32(22,29)30)15(21)17(19)24-11-4-8-13(26)9-5-11/h10-13,23-26H,2-9H2,1H3,(H2,22,29,30)/t10-,11-,12-,13+
SMILES: CS(=O)(=O)c1c(c(c(c(c1NC2CCC(CC2)O)F)S(=O)(=O)N)F)NC3CCC(CC3)O
CS(=O)(=O)c1c(c(c(c(c1NC2CCC(CC2)O)F)S(=O)(=O)N)F)NC3CCC(CC3)O
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
Download coordinates
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Model
Reference
100%