2026-11-07_00000144|ligand|44IB

Crystal structure of human glutaminyl cyclase in complex with Inhibitor LL1260; X-ray diffraction 1.89Å
Protein #1 329 residues (98% resolved)

ASAWPEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLSQTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKTVSDSKPDLSLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKILQVFVLEYLHL

ASAWPEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLSQTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKTVSDSKPDLSLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKILQVFVLEYLHL
Non polymer #2 A1FDO

InChI=1S/C18H18F3N5O2S/c1-12-9-22-11-26(12)8-7-23-17-24-10-15(18(19,20)21)16(25-17)13-3-5-14(6-4-13)29(2,27)28/h3-6,9-11H,7-8H2,1-2H3,(H,23,24,25)

Cc1cncn1CCNc2ncc(c(n2)c3ccc(cc3)S(=O)(=O)C)C(F)(F)F
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 TRS

InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1

C(C(CO)(CO)[NH3+])O
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference