2024-11-02_00000105
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medium
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8RPC
Crystal structure of PfCLK3 with TCMDC-135051;
X-ray diffraction 2.08Å
Protein #1
382 residues (93% resolved)
Raw Sequence ...
MTTGNNANLSDNWNDSEGYYKAMVGEVIDKRYSVVCELVGKGVFSNVLKCYDMVNKIPVAVKVIRDNDMMKKAAEKEISILKKLNQYDKDNKRHIIRLLSSIKYKNHLCLVFEWMWGNLRIALKKYGNGHGLNATAVHCYTKQLFIALRHMRKCRIMHADLKPDNILINEKFNALKVCDLGSASDISENEITS(PTR)LVSRFYRAPEIILGFRYDAQIDVWSAAATVFELATGKILFPGKSNNHMIKLMMEYKGKFSHKMIKGGQFYSQHFNENLDFLYVDRDHYSKKEVVRVISDLRPTKNITCDLLEHQYWLKGNSPKMQFLKKKIKQLGDLLEKCLILDPSKRYTPDQALQHPYLRESIHFSKSQNEGSENLYFQGHHHHHH
Canonical Sequence ...
MTTGNNANLSDNWNDSEGYYKAMVGEVIDKRYSVVCELVGKGVFSNVLKCYDMVNKIPVAVKVIRDNDMMKKAAEKEISILKKLNQYDKDNKRHIIRLLSSIKYKNHLCLVFEWMWGNLRIALKKYGNGHGLNATAVHCYTKQLFIALRHMRKCRIMHADLKPDNILINEKFNALKVCDLGSASDISENEITSYLVSRFYRAPEIILGFRYDAQIDVWSAAATVFELATGKILFPGKSNNHMIKLMMEYKGKFSHKMIKGGQFYSQHFNENLDFLYVDRDHYSKKEVVRVISDLRPTKNITCDLLEHQYWLKGNSPKMQFLKKKIKQLGDLLEKCLILDPSKRYTPDQALQHPYLRESIHFSKSQNEGSENLYFQGHHHHHH
Non polymer #2
A1H19
InChI=1S/C29H33N3O3/c1-6-32(7-2)17-19-8-11-27(35-5)25(14-19)26-16-24-21(12-13-30-28(24)31-26)20-9-10-22(29(33)34)23(15-20)18(3)4/h8-16,18H,6-7,17H2,1-5H3,(H,30,31)(H,33,34)
InChI=1S/C29H33N3O3/c1-6-32(7-2)17-19-8-11-27(35-5)25(14-19)26-16-24-21(12-13-30-28(24)31-26)20-9-10-22(29(33)34)23(15-20)18(3)4/h8-16,18H,6-7,17H2,1-5H3,(H,30,31)(H,33,34)
SMILES: CCN(CC)Cc1ccc(c(c1)c2cc3c(ccnc3[nH]2)c4ccc(c(c4)C(C)C)C(=O)O)OC
CCN(CC)Cc1ccc(c(c1)c2cc3c(ccnc3[nH]2)c4ccc(c(c4)C(C)C)C(=O)O)OC
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
Biounit #1
monomer
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Model
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