2025-10-04_00000159
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ligand
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9KRY
Crystal structure Of MerTK kinase domain in complex With compound 1;
X-ray diffraction 2.25Å
Protein #1
294 residues (86% resolved)
Raw Sequence ...
EELQNKLEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDV
Canonical Sequence ...
EELQNKLEDVVIDRNLLILGKILGEGEFGSVMEGNLKQEDGTSLKVAVKTMKLDNSSQREIEEFLSEAACMKDFSHPNVIRLLGVCIEMSSQGIPKPMVILPFMKYGDLHTYLLYSRLETGPKHIPLQTLLKFMVDIALGMEYLSNRNFLHRDLAARNCMLRDDMTVCVADFGLSKKIYSGDYYRQGRIAKMPVKWIAIESLADRVYTSKSDVWAFGVTMWEIATRGMTPYPGVQNHEMYDYLLHGHRLKQPEDCLDELYEIMYSCWRTDPLDRPTFSVLRLQLEKLLESLPDV
Non polymer #2
A1L6J
InChI=1S/C33H25FN8O4/c1-40-16-20(15-38-40)29-27(19-4-3-5-22(35)14-19)28-31(36-18-37-32(28)46-29)45-25-12-8-23(9-13-25)39-30(43)26-17-41(2)42(33(26)44)24-10-6-21(34)7-11-24/h3-18H,35H2,1-2H3,(H,39,43)
InChI=1S/C33H25FN8O4/c1-40-16-20(15-38-40)29-27(19-4-3-5-22(35)14-19)28-31(36-18-37-32(28)46-29)45-25-12-8-23(9-13-25)39-30(43)26-17-41(2)42(33(26)44)24-10-6-21(34)7-11-24/h3-18H,35H2,1-2H3,(H,39,43)
SMILES: Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC(=O)C5=CN(N(C5=O)c6ccc(cc6)F)C)c7cccc(c7)N
Cn1cc(cn1)c2c(c3c(o2)ncnc3Oc4ccc(cc4)NC(=O)C5=CN(N(C5=O)c6ccc(cc6)F)C)c7cccc(c7)N
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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