2025-04-12_00000157|ligand|9D4D

Crystal structure of the catalytic region of human MASP-2 with specific inhibitor Compound S3; X-ray diffraction 2.36Å
Protein #1 324 residues (98% resolved)

IVDCGPPDDLPSGRVEYITGPGVTTYKAVIQYSCEETFYTMKVNDGKYVCEADGFWTSSKGEKSLPVCEPVCGLSARTTGGRIYGGQKAKPGDFPWQVLILGGTTAAGALLYDNWVLTAAHAVYEQKHDASALDIRMGTLKRLSPHYTQAWSEAVFIHEGYTHDAGFDNDIALIKLNNKVVINSNITPICLPRKEAESFMRTDDIGTASGWGLTQRGFLARNLMYVDIPIVDHQKCTAAYEKPPYPRGSVTANMLCAGLESGGKDSCRGDSGGALVFLDSETERWFVGGIVSWGSMNCGEAGQYGVYTKVINYIPWIENIISDF

IVDCGPPDDLPSGRVEYITGPGVTTYKAVIQYSCEETFYTMKVNDGKYVCEADGFWTSSKGEKSLPVCEPVCGLSARTTGGRIYGGQKAKPGDFPWQVLILGGTTAAGALLYDNWVLTAAHAVYEQKHDASALDIRMGTLKRLSPHYTQAWSEAVFIHEGYTHDAGFDNDIALIKLNNKVVINSNITPICLPRKEAESFMRTDDIGTASGWGLTQRGFLARNLMYVDIPIVDHQKCTAAYEKPPYPRGSVTANMLCAGLESGGKDSCRGDSGGALVFLDSETERWFVGGIVSWGSMNCGEAGQYGVYTKVINYIPWIENIISDF
Non polymer #2 A1A10

InChI=1S/C21H19N5O/c22-21-25-18-3-1-2-16(20(18)26-21)13-19(27)24-17-6-4-14(5-7-17)12-15-8-10-23-11-9-15/h1-11H,12-13H2,(H,24,27)(H3,22,25,26)

c1cc(c2c(c1)[nH]c(n2)N)CC(=O)Nc3ccc(cc3)Cc4ccncc4
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Reference