2026-01-24_00000087
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ligand
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9I1L
Crystal structure of Kalirin/Rac1 in complex with RS-009;
X-ray diffraction 1.68Å
Protein #1
177 residues (97% resolved)
Raw Sequence ...
MQAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVL
Canonical Sequence ...
MQAIKCVVVGDGAVGKTCLLISYTTNAFPGEYIPTVFDNYSANVMVDGKPVNLGLWDTAGQEDYDRLRPLSYPQTDVFLICFSLVSPASFENVRAKWYPEVRHHCPNTPIILVGTKLDLRDDKDTIEKLKEKKLTPITYPQGLAMAKEIGAVKYLECSALTQRGLKTVFDEAIRAVL
Protein #2
180 residues (92% resolved)
Raw Sequence ...
RKKEFIMAELLQTEKAYVRDLHECLETYLWEMTSGVEEIPPGILNKEHIIFGNIQEIYDFHNNIFLKELEKYEQLPEDVGHCFVTWADKFQMYVTYCKNKPDSNQLILEHAGTFFDEIQQRHGLANSISSYLIKPVQRVTKYQLLLKELLTCCEEGKGELKDGLEVMLSVPKKANDAMHV
Canonical Sequence ...
RKKEFIMAELLQTEKAYVRDLHECLETYLWEMTSGVEEIPPGILNKEHIIFGNIQEIYDFHNNIFLKELEKYEQLPEDVGHCFVTWADKFQMYVTYCKNKPDSNQLILEHAGTFFDEIQQRHGLANSISSYLIKPVQRVTKYQLLLKELLTCCEEGKGELKDGLEVMLSVPKKANDAMHV
Non polymer #3
A1IZQ
InChI=1S/C9H8ClN3O2/c10-4-8(15)12-6-3-7(14)13-9-5(6)1-2-11-9/h1-3H,4H2,(H3,11,12,13,14,15)
InChI=1S/C9H8ClN3O2/c10-4-8(15)12-6-3-7(14)13-9-5(6)1-2-11-9/h1-3H,4H2,(H3,11,12,13,14,15)
SMILES: c1c[nH]c2c1C(=CC(=O)N2)NC(=O)CCl
c1c[nH]c2c1C(=CC(=O)N2)NC(=O)CCl
Non polymer #4
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
hetero-1-1-mer
Download coordinates
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Model
Reference
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