2026-09-12_00000172|ligand|9QKA

NCS-1 bound to XChem ligand 4; X-ray diffraction 2.82Å
Protein #1 190 residues (98% 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 A1I7N

InChI=1S/C18H20F2N2O4S/c1-11-14(19)6-7-15(17(11)20)21-18(23)13-10-16(26-12(13)2)27(24,25)22-8-4-3-5-9-22/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,23)

Cc1c(ccc(c1F)NC(=O)c2cc(oc2C)S(=O)(=O)N3CCCCC3)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+]
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