2026-11-07_00000142|ligand|44HQ

Crystal structure of human glutaminyl cyclase in complex with Inhibitor 5; X-ray diffraction 2.43Å

Protein #1 328 residues (98% resolved)

Raw Sequence ...

SAWPEEKNYHQPAILNSSALRQIAEGTSISEMWQNDLQPLLIERYPGSPGSYAARQHIMQRIQRLQADWVLEIDTFLSQTPYGYRSFSNIISTLNPTAKRHLVLACHYDSKYFSHWNNRVFVGATDSAVPCAMMLELARALDKKLLSLKTVSDSKPDLSLQLIFFDGEEAFLHWSPQDSLYGSRHLAAKMASTPHPPGARGTSQLHGMDLLVLLDLIGAPNPTFPNFFPNSARWFERLQAIEHELHELGLLKDHSLEGRYFQNYSYGGVIQDDHIPFLRRGVPVLHLIPSPFPEVWHTMDDNEENLDESTIDNLNKILQVFVLEYLHL

Canonical Sequence ...

Non polymer #2 A1FDL

InChI=1S/C14H14BrN5/c1-10-7-16-9-20(10)5-4-17-14-18-8-11-6-12(15)2-3-13(11)19-14/h2-3,6-9H,4-5H2,1H3,(H,17,18,19)

SMILES: Cc1cncn1CCNc2ncc3cc(ccc3n2)Br

Cc1cncn1CCNc2ncc3cc(ccc3n2)Br

Non polymer #3 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Non polymer #4 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Reference