2026-09-05_00000201
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ligand
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9SIW
CK1d in complex with IG111;
X-ray diffraction 1.55Å
Protein #1
296 residues (99% resolved)
Raw Sequence ...
SMMELRVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLK
Canonical Sequence ...
SMMELRVGNRYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQGGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGFSYDYVFDWNMLK
Non polymer #2
A1JOA
InChI=1S/C19H19FN6/c20-15-3-1-13(2-4-15)16-17(14-5-7-22-8-6-14)25-19(18(21)24-16)26-11-9-23-10-12-26/h1-8,23H,9-12H2,(H2,21,24)
InChI=1S/C19H19FN6/c20-15-3-1-13(2-4-15)16-17(14-5-7-22-8-6-14)25-19(18(21)24-16)26-11-9-23-10-12-26/h1-8,23H,9-12H2,(H2,21,24)
SMILES: c1cc(ccc1c2c(nc(c(n2)N)N3CCNCC3)c4ccncc4)F
c1cc(ccc1c2c(nc(c(n2)N)N3CCNCC3)c4ccncc4)F
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
MLI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2
SMILES: C(C(=O)[O-])C(=O)[O-]
C(C(=O)[O-])C(=O)[O-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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