2026-04-11_00000129|ligand|9QQ2

Crystal structure of human carbonic anhydrase VII in complex with a benzenesulfonamide derivative containing the duloxetine moiety.; X-ray diffraction 1.35Å
Protein #1 274 residues (95% resolved)

MGMTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKSLLPASRHYWTYPGSLTTPPLSESVTWIVLREPISISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRALEHHHHHH

MGMTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKSLLPASRHYWTYPGSLTTPPLSESVTWIVLREPISISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRALEHHHHHH
Non polymer #2 A1I9B

InChI=1S/C26H27N3O3S3/c1-29(26(33)28-18-19-11-13-21(14-12-19)35(27,30)31)16-15-24(25-10-5-17-34-25)32-23-9-4-7-20-6-2-3-8-22(20)23/h2-14,17,24H,15-16,18H2,1H3,(H,28,33)(H2,27,30,31)/t24-/m0/s1

CN(CC[C@@H](c1cccs1)Oc2cccc3c2cccc3)C(=S)NCc4ccc(cc4)S(=O)(=O)N
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference