2026-06-06_00000299
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ligand
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9YSP
Human DCTPP1 bound to a Class III inhibitor;
X-ray diffraction 1.75Å
Protein #1
110 residues (97% resolved)
Raw Sequence ...
GRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAELFQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLSKMDINRRRYP
Canonical Sequence ...
GRFSFSPEPTLEDIRRLHAEFAAERDWEQFHQPRNLLLALVGEVGELAELFQWKTDGEPGPQGWSPRERAALQEELSDVLIYLVALAARCRVDLPLAVLSKMDINRRRYP
Non polymer #2
A1C0C
InChI=1S/C18H20ClN5OS/c1-26-18-21-16(13-2-4-14(19)5-3-13)15(12-20)17(22-18)24-8-6-23(7-9-24)10-11-25/h2-5,25H,6-11H2,1H3
InChI=1S/C18H20ClN5OS/c1-26-18-21-16(13-2-4-14(19)5-3-13)15(12-20)17(22-18)24-8-6-23(7-9-24)10-11-25/h2-5,25H,6-11H2,1H3
SMILES: CSc1nc(c(c(n1)N2CCN(CC2)CCO)C#N)c3ccc(cc3)Cl
CSc1nc(c(c(n1)N2CCN(CC2)CCO)C#N)c3ccc(cc3)Cl
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-tetramer
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Model
Reference
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