2025-03-08_00000302
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ligand
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9HRC
Structure of MNK2 in complex with inhibitor NUCC-0201049;
X-ray diffraction 3.16Å
Protein #1
316 residues (90% resolved)
Raw Sequence ...
GSTDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIRSRVFREVEMLYQCQGHRNVLELIEFFEEEDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENILCEHPNQVSPVKICDFGLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCAPENTLPTPMVLQR
Canonical Sequence ...
GSTDSFSGRFEDVYQLQEDVLGEGAHARVQTCINLITSQEYAVKIIEKQPGHIRSRVFREVEMLYQCQGHRNVLELIEFFEEEDRFYLVFEKMRGGSILSHIHKRRHFNELEASVVVQDVASALDFLHNKGIAHRDLKPENILCEHPNQVSPVKICDFGLGSGIKLNGDCSPISTPELLTPCGSAEYMAPEVVEAFSEEASIYDKRCDLWSLGVILYILLSGYPPFVGRCGSDCGWDRGEACPACQNMLFESIQEGKYEFPDKDWAHISCAAKDLISKLLVRDAKQRLSAAQVLQHPWVQGCAPENTLPTPMVLQR
Non polymer #2
A1IWO
InChI=1S/C15H14ClN5O/c16-11-8-18-15(20-14(11)22-10-5-6-17-7-10)21-9-19-12-3-1-2-4-13(12)21/h1-4,8-10,17H,5-7H2
InChI=1S/C15H14ClN5O/c16-11-8-18-15(20-14(11)22-10-5-6-17-7-10)21-9-19-12-3-1-2-4-13(12)21/h1-4,8-10,17H,5-7H2
SMILES: c1ccc2c(c1)ncn2c3ncc(c(n3)O[C@@H]4CCNC4)Cl
c1ccc2c(c1)ncn2c3ncc(c(n3)O[C@@H]4CCNC4)Cl
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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