2026-08-15_00000072
|
ligand
|
36JG
Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor ALM-DAI-23: 3-(benzo[d][1,3]dioxol-5-yl)-2-(pyridin-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;
X-ray diffraction 2.50Å
Protein #1
306 residues (100% resolved)
Raw Sequence ...
SSVVGLHYKIGKKIGEGSFGVIFEGTNIINGVPVAIKFEPRKTEAPQLRDEYRTYKHLQGCDGIPNAYYFGQEGLHNILVIDLLGPSLEDLFDWCGRRFSVKTVVQVAIQMLTLVEEVHRHDLIYRDIKPDNFLIGRRGATDENNVHLIDFGMAKQYRDPRTKQHIPYREKKSLSGTARYMSINTHLGREQSRRDDLEALGHVFFYFLRGQLPWQGLKAPTNKQKYEKIGDKKRTTPAVTLCDGLPQQFAEYLDSVRSLPFDAEPPYEEYRMLLLSVLDDLGQACDGDMDWMHLNGGRGWDATINK
Canonical Sequence ...
SSVVGLHYKIGKKIGEGSFGVIFEGTNIINGVPVAIKFEPRKTEAPQLRDEYRTYKHLQGCDGIPNAYYFGQEGLHNILVIDLLGPSLEDLFDWCGRRFSVKTVVQVAIQMLTLVEEVHRHDLIYRDIKPDNFLIGRRGATDENNVHLIDFGMAKQYRDPRTKQHIPYREKKSLSGTARYMSINTHLGREQSRRDDLEALGHVFFYFLRGQLPWQGLKAPTNKQKYEKIGDKKRTTPAVTLCDGLPQQFAEYLDSVRSLPFDAEPPYEEYRMLLLSVLDDLGQACDGDMDWMHLNGGRGWDATINK
Non polymer #2
A1DLM
InChI=1S/C19H17N3O2/c1-3-9-20-14(5-1)18-19(22-10-4-2-6-17(22)21-18)13-7-8-15-16(11-13)24-12-23-15/h1,3,5,7-9,11H,2,4,6,10,12H2
InChI=1S/C19H17N3O2/c1-3-9-20-14(5-1)18-19(22-10-4-2-6-17(22)21-18)13-7-8-15-16(11-13)24-12-23-15/h1,3,5,7-9,11H,2,4,6,10,12H2
SMILES: c1ccnc(c1)c2c(n3c(n2)CCCC3)c4ccc5c(c4)OCO5
c1ccnc(c1)c2c(n3c(n2)CCCC3)c4ccc5c(c4)OCO5
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Tube
Model
Reference
100%