2026-09-12_00000184
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ligand
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9QKM
NCS-1 bound to XChem ligand 16;
X-ray diffraction 2.26Å
Protein #1
190 residues (98% 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
A1I7U
InChI=1S/C19H21N3O4S/c1-13(17-11-14-7-3-5-9-16(14)26-17)22-19(23)21-12-15-8-4-6-10-18(15)27(24,25)20-2/h3-11,13,20H,12H2,1-2H3,(H2,21,22,23)/t13-/m0/s1
InChI=1S/C19H21N3O4S/c1-13(17-11-14-7-3-5-9-16(14)26-17)22-19(23)21-12-15-8-4-6-10-18(15)27(24,25)20-2/h3-11,13,20H,12H2,1-2H3,(H2,21,22,23)/t13-/m0/s1
SMILES: C[C@@H](c1cc2ccccc2o1)NC(=O)NCc3ccccc3S(=O)(=O)NC
C[C@@H](c1cc2ccccc2o1)NC(=O)NCc3ccccc3S(=O)(=O)NC
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
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #7
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #8
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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