2026-04-11_00000130|ligand|9QQ3

Crystal structure of human carbonic anhydrase VII in complex with a benzenesufonamide derivative containing the duloxetine moiety; X-ray diffraction 1.60Å
Protein #1 274 residues (95% resolved)

MGMTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKSLLPASRHYWTYPGSLTTPPLSESVTWIVLREPISISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRALEHHHHHH

MGMTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLELSYEACMSLSITNNGHSVQVDFNDSDDRTVVTGGPLEGPYRLKQFHFHWGKKHDVGSEHTVDGKSFPSELHLVHWNAKKYSTFGEAASAPDGLAVVGVFLETGDEHPSMNRLTDALYMVRFKGTKAQFSCFNPKSLLPASRHYWTYPGSLTTPPLSESVTWIVLREPISISERQMGKFRSLLFTSEDDERIHMVNNFRPPQPLKGRVVKASFRALEHHHHHH
Non polymer #2 A1I9C

InChI=1S/C32H30N4O5S3/c1-36(20-19-29(30-10-5-21-43-30)41-28-9-4-7-22-6-2-3-8-27(22)28)32(37)40-25-15-11-23(12-16-25)34-31(42)35-24-13-17-26(18-14-24)44(33,38)39/h2-18,21,29H,19-20H2,1H3,(H2,33,38,39)(H2,34,35,42)/t29-/m0/s1

CN(CC[C@@H](c1cccs1)Oc2cccc3c2cccc3)C(=O)Oc4ccc(cc4)NC(=S)Nc5ccc(cc5)S(=O)(=O)N
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
Download coordinates
Reference