2026-09-12_00000170
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ligand
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9QK8
NCS-1 bound to XChem ligand 2;
X-ray diffraction 2.27Å
Protein #1
190 residues (97% resolved)
Raw Sequence ...
MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV
Canonical Sequence ...
MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV
Non polymer #2
A1I68
InChI=1S/C16H18FN3O5S/c1-10-12(16(21)19-11-2-3-13(17)14(18)8-11)9-15(25-10)26(22,23)20-4-6-24-7-5-20/h2-3,8-9H,4-7,18H2,1H3,(H,19,21)
InChI=1S/C16H18FN3O5S/c1-10-12(16(21)19-11-2-3-13(17)14(18)8-11)9-15(25-10)26(22,23)20-4-6-24-7-5-20/h2-3,8-9H,4-7,18H2,1H3,(H,19,21)
SMILES: Cc1c(cc(o1)S(=O)(=O)N2CCOCC2)C(=O)Nc3ccc(c(c3)N)F
Cc1c(cc(o1)S(=O)(=O)N2CCOCC2)C(=O)Nc3ccc(c(c3)N)F
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #5
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #6
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
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
SMILES: C(COCCOCCOCCOCCOCCO)O
C(COCCOCCOCCOCCOCCO)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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