2026-08-15_00000069
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ligand
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36JD
Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor MN-III-28: N-(4-(6-cyano-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl)pyridin-2-yl)acetamide;
X-ray diffraction 2.00Å
Protein #1
306 residues (100% resolved)
Raw Sequence ...
SSVVGLHYKIGKKIGEGSFGVIFEGTNIINGVPVAIKFEPRKTEAPQLRDEYRTYKHLQGCDGIPNAYYFGQEGLHNILVIDLLGPSLEDLFDWCGRRFSVKTVVQVAIQMLTLVEEVHRHDLIYRDIKPDNFLIGRRGATDENNVHLIDFGMAKQYRDPRTKQHIPYREKKSLSGTARYMSINTHLGREQSRRDDLEALGHVFFYFLRGQLPWQGLKAPTNKQKYEKIGDKKRTTPAVTLCDGLPQQFAEYLDSVRSLPFDAEPPYEEYRMLLLSVLDDLGQACDGDMDWMHLNGGRGWDATINK
Canonical Sequence ...
SSVVGLHYKIGKKIGEGSFGVIFEGTNIINGVPVAIKFEPRKTEAPQLRDEYRTYKHLQGCDGIPNAYYFGQEGLHNILVIDLLGPSLEDLFDWCGRRFSVKTVVQVAIQMLTLVEEVHRHDLIYRDIKPDNFLIGRRGATDENNVHLIDFGMAKQYRDPRTKQHIPYREKKSLSGTARYMSINTHLGREQSRRDDLEALGHVFFYFLRGQLPWQGLKAPTNKQKYEKIGDKKRTTPAVTLCDGLPQQFAEYLDSVRSLPFDAEPPYEEYRMLLLSVLDDLGQACDGDMDWMHLNGGRGWDATINK
Non polymer #2
A1DLO
InChI=1S/C21H14FN5O/c1-13(28)25-19-10-16(8-9-24-19)20-18-7-2-14(11-23)12-27(18)26-21(20)15-3-5-17(22)6-4-15/h2-10,12H,1H3,(H,24,25,28)
InChI=1S/C21H14FN5O/c1-13(28)25-19-10-16(8-9-24-19)20-18-7-2-14(11-23)12-27(18)26-21(20)15-3-5-17(22)6-4-15/h2-10,12H,1H3,(H,24,25,28)
SMILES: CC(=O)Nc1cc(ccn1)c2c3ccc(cn3nc2c4ccc(cc4)F)C#N
CC(=O)Nc1cc(ccn1)c2c3ccc(cn3nc2c4ccc(cc4)F)C#N
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
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Model
Reference
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