2026-09-12_00000182|ligand|9QKK

NCS-1 bound to XChem ligand 14; X-ray diffraction 2.09Å
Protein #1 190 residues (96% 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 A1I7S

InChI=1S/C22H18N2O4S/c1-27-19-8-2-3-9-20(19)28-18-13-11-17(12-14-18)24-29(25,26)21-10-4-6-16-7-5-15-23-22(16)21/h2-15,24H,1H3

COc1ccccc1Oc2ccc(cc2)NS(=O)(=O)c3cccc4c3nccc4
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+]
Non polymer #7 P6G

InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2

C(COCCOCCOCCOCCOCCO)O
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Reference