2026-02-28_00000060
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ligand
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9IG1
Crystal structure of Kalirin/Rac1 in complex with DK-652;
X-ray diffraction 1.65Å
Protein #1
177 residues (95% resolved)
Raw Sequence ...
MQAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVL
Canonical Sequence ...
MQAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVL
Protein #2
180 residues (89% resolved)
Raw Sequence ...
RKKEFIMAELLQTEKAYVRDLHECLETYLWEMTSGVEEIPPGILNKEHIIFGNIQEIYDFHNNIFLKELEKYEQLPEDVGHCFVTWADKFQMYVTYCKNKPDSNQLILEHAGTFFDEIQQRHGLANSISSYLIKPVQRVTKYQLLLKELLTCCEEGKGELKDGLEVMLSVPKKANDAMHV
Canonical Sequence ...
RKKEFIMAELLQTEKAYVRDLHECLETYLWEMTSGVEEIPPGILNKEHIIFGNIQEIYDFHNNIFLKELEKYEQLPEDVGHCFVTWADKFQMYVTYCKNKPDSNQLILEHAGTFFDEIQQRHGLANSISSYLIKPVQRVTKYQLLLKELLTCCEEGKGELKDGLEVMLSVPKKANDAMHV
Non polymer #3
A1I33
InChI=1S/C11H9ClN2O2/c12-6-10(15)14-8-2-1-7-3-4-13-11(16)9(7)5-8/h1-5H,6H2,(H,13,16)(H,14,15)
InChI=1S/C11H9ClN2O2/c12-6-10(15)14-8-2-1-7-3-4-13-11(16)9(7)5-8/h1-5H,6H2,(H,13,16)(H,14,15)
SMILES: c1cc2c(cc1NC(=O)CCl)C(=O)NC=C2
c1cc2c(cc1NC(=O)CCl)C(=O)NC=C2
Biounit #1
hetero-1-1-mer
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Model
Reference
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