2026-09-12_00000176|ligand|9QKE

NCS-1 bound to XChem ligand 8; X-ray diffraction 2.93Å
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 A1I7O

InChI=1S/C17H18ClFN2O4S/c1-10-7-14(19)13(18)9-15(10)20-17(22)12-8-16(25-11(12)2)26(23,24)21-5-3-4-6-21/h7-9H,3-6H2,1-2H3,(H,20,22)

Cc1cc(c(cc1NC(=O)c2cc(oc2C)S(=O)(=O)N3CCCC3)Cl)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