2026-10-17_00000010|ligand|20XT

Crystal structure of human ThrRS complexing with obafluorin derived inhibitor OB-D4; X-ray diffraction 3.50Å
Protein #1 412 residues (98% resolved)

MRDHRKIGRDQELYFFHELSPGSCFFLPKGAYIYNALIEFIRSEYRKRGFQEVVTPNIFNSRLWMTSGHWQHYSENMFSFEVEKELFALKPMNCPGHCLMFDHRPRSWRELPLRLADFGVLHRNELSGALTGLTRVRRFQQDDAHIFCAMEQIEDEIKGCLDFLRTVYSVFGFSFKLNLSTRPEKFLGDIEVWDQAEKQLENSLNEFGEKWELNSGDGAFYGPKIDIQIKDAIGRYHQCATIQLDFQLPIRFNLTYVSHDGDDKKRPVIVHRAILGSVERMIAILTENYGGKWPFWLSPRQVMVVPVGPTCDEYAQKVRQQFHDAKFMADIDLDPGCTLNKKIRNAQLAQYNFILVVGEKEKISGTVNIRTRDNKVHGERTISETIERLQQLKEFRSKQAEEEFLEHHHHHH

MRDHRKIGRDQELYFFHELSPGSCFFLPKGAYIYNALIEFIRSEYRKRGFQEVVTPNIFNSRLWMTSGHWQHYSENMFSFEVEKELFALKPMNCPGHCLMFDHRPRSWRELPLRLADFGVLHRNELSGALTGLTRVRRFQQDDAHIFCAMEQIEDEIKGCLDFLRTVYSVFGFSFKLNLSTRPEKFLGDIEVWDQAEKQLENSLNEFGEKWELNSGDGAFYGPKIDIQIKDAIGRYHQCATIQLDFQLPIRFNLTYVSHDGDDKKRPVIVHRAILGSVERMIAILTENYGGKWPFWLSPRQVMVVPVGPTCDEYAQKVRQQFHDAKFMADIDLDPGCTLNKKIRNAQLAQYNFILVVGEKEKISGTVNIRTRDNKVHGERTISETIERLQQLKEFRSKQAEEEFLEHHHHHH
Non polymer #2 A1E18

InChI=1S/C18H19NO7/c1-26-11-7-5-10(6-8-11)9-14(21)15(18(24)25)19-17(23)12-3-2-4-13(20)16(12)22/h2-8,14-15,20-22H,9H2,1H3,(H,19,23)(H,24,25)/t14-,15+/m1/s1

COc1ccc(cc1)C[C@H]([C@@H](C(=O)O)NC(=O)c2cccc(c2O)O)O
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
Download coordinates
Reference