2026-09-12_00000171|ligand|9QK9

NCS-1 bound to XChem ligand 3; X-ray diffraction 2.33Å
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 A1I7M

InChI=1S/C14H12F5N3O4S/c1-5-6(4-7(26-5)27(24,25)21(2)3)14(23)22(20)13-11(18)9(16)8(15)10(17)12(13)19/h4H,20H2,1-3H3

Cc1c(cc(o1)S(=O)(=O)N(C)C)C(=O)N(c2c(c(c(c(c2F)F)F)F)F)N
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