2026-09-12_00000183
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ligand
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9QKL
NCS-1 bound to XChem ligand 15;
X-ray diffraction 2.40Å
Protein #1
190 residues (97% resolved)
Raw Sequence ...
MGKSNSKLKPEVVEELTRKTYFTEKEVQQWYKGFIKDCPSGQLDAAGFQKIYKQFFPFGDPTKFATFVFNVFDENKDGRIEFSEFIQALSVTSRGTLDEKLRWAFKLYDLDNDGYITRNEMLDIVDAIYQMVGNTVELPEEENTPEKRVDRIFAMMDKNADGKLTLQEFQEGSKADPSIVQALSLYDGLV
Canonical Sequence ...
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
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
SMILES: C(COCCOCCOCCOCCO)O
C(COCCOCCOCCOCCO)O
Non polymer #3
A1I7T
InChI=1S/C18H19N3O3S/c1-25(23,24)21-15-6-4-5-14(11-15)20-18(22)10-9-13-12-19-17-8-3-2-7-16(13)17/h2-8,11-12,19,21H,9-10H2,1H3,(H,20,22)
InChI=1S/C18H19N3O3S/c1-25(23,24)21-15-6-4-5-14(11-15)20-18(22)10-9-13-12-19-17-8-3-2-7-16(13)17/h2-8,11-12,19,21H,9-10H2,1H3,(H,20,22)
SMILES: CS(=O)(=O)Nc1cccc(c1)NC(=O)CCc2c[nH]c3c2cccc3
CS(=O)(=O)Nc1cccc(c1)NC(=O)CCc2c[nH]c3c2cccc3
Non polymer #4
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 #5
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #6
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[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
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
Non polymer #8
PG5
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
SMILES: COCCOCCOCCOC
COCCOCCOCCOC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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