2025-10-04_00000161
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ligand
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9KS9
Crystal structure of MerTK kinase domain in complex with compound 6;
X-ray diffraction 2.80Å
Protein #1
294 residues (89% resolved)
Raw Sequence ...
EELQNKLEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDV
Canonical Sequence ...
EELQNKLEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDV
Non polymer #2
A1L6L
InChI=1S/C34H24FN7O4/c1-41-18-21(17-39-41)30-28(20-4-2-5-23(36)16-20)29-32(37-19-38-33(29)46-30)45-26-13-9-24(10-14-26)40-31(43)27-6-3-15-42(34(27)44)25-11-7-22(35)8-12-25/h2-19H,36H2,1H3,(H,40,43)
InChI=1S/C34H24FN7O4/c1-41-18-21(17-39-41)30-28(20-4-2-5-23(36)16-20)29-32(37-19-38-33(29)46-30)45-26-13-9-24(10-14-26)40-31(43)27-6-3-15-42(34(27)44)25-11-7-22(35)8-12-25/h2-19H,36H2,1H3,(H,40,43)
SMILES: Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC(=O)C5=CC=CN(C5=O)c6ccc(cc6)F)c7cccc(c7)N
Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC(=O)C5=CC=CN(C5=O)c6ccc(cc6)F)c7cccc(c7)N
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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