2026-09-12_00000173|ligand|9QKB

NCS-1 bound to XChem ligand 5; X-ray diffraction 2.01Å
Protein #1 190 residues (97% resolved)

MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV

MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV
Non polymer #2 1PE

InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2

C(COCCOCCOCCOCCO)O
Non polymer #3 A1I7A

InChI=1S/C16H16FN3O7S/c1-10-12(9-15(27-10)28(24,25)19-4-6-26-7-5-19)16(21)18-11-2-3-13(17)14(8-11)20(22)23/h2-3,8-9H,4-7H2,1H3,(H-,18,21,22,23)/p+1

Cc1c(cc(o1)S(=O)(=O)N2CCOCC2)C(=O)Nc3ccc(c(c3)[N+](=O)O)F
Non polymer #4 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #5 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #6 NA

InChI=1S/Na/q+1

[Na+]
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Reference