2024-05-04_00000256|ligand|8V9B

Lipoprotein(a) Kringle IV domain 7 - Lp(a) KIV7 in complex with LY3441732; X-ray diffraction 1.19Å

Protein #1 96 residues (88% resolved)

Raw Sequence ...

MAPTEQSPTVQDCYHGDGQSYRGSFSTTVTGRTCQSWSSMTPHWHQRTTEYYPNGGLTRNYCRNPDAEIRPWCYTMDPSVRWEYCNLTQCPVMEST

Canonical Sequence ...

MAPTEQSPTVQDCYHGDGQSYRGSFSTTVTGRTCQSWSSMTPHWHQRTTEYYPNGGLTRNYCRNPDAEIRPWCYTMDPSVRWEYCNLTQCPVMEST

Non polymer #2 A1AAM

InChI=1S/C27H34N4O5/c32-25(33)23(19-7-9-28-15-19)13-17-3-1-5-21(11-17)30-27(36)31-22-6-2-4-18(12-22)14-24(26(34)35)20-8-10-29-16-20/h1-6,11-12,19-20,23-24,28-29H,7-10,13-16H2,(H,32,33)(H,34,35)(H2,30,31,36)/t19-,20-,23-,24-/m0/s1

InChI=1S/C27H34N4O5/c32-25(33)23(19-7-9-28-15-19)13-17-3-1-5-21(11-17)30-27(36)31-22-6-2-4-18(12-22)14-24(26(34)35)20-8-10-29-16-20/h1-6,11-12,19-20,23-24,28-29H,7-10,13-16H2,(H,32,33)(H,34,35)(H2,30,31,36)/t19-,20-,23-,24-/m0/s1

SMILES: c1cc(cc(c1)NC(=O)Nc2cccc(c2)C[C@@H]([C@H]3CCNC3)C(=O)O)C[C@@H]([C@H]4CCNC4)C(=O)O

c1cc(cc(c1)NC(=O)Nc2cccc(c2)C[C@@H]([C@H]3CCNC3)C(=O)O)C[C@@H]([C@H]4CCNC4)C(=O)O

Non polymer #3 MG

InChI=1S/Mg/q+2

SMILES: [Mg+2]

[Mg+2]

Biounit #1 homo-dimer

Reference