2026-07-25_00000012|ligand|12CL

Crystal structure of canine myeloperoxidase inhibited by SPIN from Staphylococcus delphini; X-ray diffraction 2.10Å
Protein #1 741 residues (77% resolved)

MGGLSAPKCTVRSGYWAWGLVAEMLLLLALAGLLAILAVPQHSESANPAVLEVETTVVMTCMEEAKRLVDTAYKERRESIKQRLHSGLASPMELLSYFKQPVAATRTAVRAADYLHVALSLLEGKLRPLWPRPFNVTDVLTPAQLNLLSKSSGCAYQDVGLKCPENDKYRSITGHCNNRRSPTLGASNRAFARWLPAEYEDGFSLPYGWTPGVKRSGFPVPLARAVSNAIVRFPTEQLTPDQERSLLFMQWGQLLDHDLDLSPEPAARVSFVTSVNCEISCEQQPPCFPLKIPPNDPRIKNQRDCIPFFRSSPACTDNNITIRNQINALTSFVDASMVYGSEDPLATRLRNLTNQLGLLAVNTRFSDNGRALLPFDNLHDDPCLLTNRSAGIPCFLAGDTRSSEMPELASMHTLFLREHNRLATELRRLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPLAMRKYLPRYRSYNDSVDPRISNVFTNAFRYGHTLIQPFMFRLDNRYQPMGPNPRVPLSRVFFATWRVVLEGGIDPILRGLMATPAKLNRQNQIVVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPSTVGELATVLRNLDLAQKLMQQYGTPDNIDIWMGGVAEPLEPRGRVGQLLACLIGTQFRKLRDGDRFWWENRGVFSSQQQQALARISLPRIICDNTGITTVSKNNIFMSNMFPRDFVNCSTLPALDLTSWRDSN

MGGLSAPKCTVRSGYWAWGLVAEMLLLLALAGLLAILAVPQHSESANPAVLEVETTVVMTCMEEAKRLVDTAYKERRESIKQRLHSGLASPMELLSYFKQPVAATRTAVRAADYLHVALSLLEGKLRPLWPRPFNVTDVLTPAQLNLLSKSSGCAYQDVGLKCPENDKYRSITGHCNNRRSPTLGASNRAFARWLPAEYEDGFSLPYGWTPGVKRSGFPVPLARAVSNAIVRFPTEQLTPDQERSLLFMQWGQLLDHDLDLSPEPAARVSFVTSVNCEISCEQQPPCFPLKIPPNDPRIKNQRDCIPFFRSSPACTDNNITIRNQINALTSFVDASMVYGSEDPLATRLRNLTNQLGLLAVNTRFSDNGRALLPFDNLHDDPCLLTNRSAGIPCFLAGDTRSSEMPELASMHTLFLREHNRLATELRRLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPLAMRKYLPRYRSYNDSVDPRISNVFTNAFRYGHTLIQPFMFRLDNRYQPMGPNPRVPLSRVFFATWRVVLEGGIDPILRGLMATPAKLNRQNQIVVDEIRERLFEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPSTVGELATVLRNLDLAQKLMQQYGTPDNIDIWMGGVAEPLEPRGRVGQLLACLIGTQFRKLRDGDRFWWENRGVFSSQQQQALARISLPRIICDNTGITTVSKNNIFMSNMFPRDFVNCSTLPALDLTSWRDSN
Protein #2 77 residues (91% resolved)

GSTGSQVTSQNGIILHDDSRMLDHELQYVDVLINPNANPQTKERLKAYFESQGLNTVSEIVQKAKQDGLDTSKYDHL

GSTGSQVTSQNGIILHDDSRMLDHELQYVDVLINPNANPQTKERLKAYFESQGLNTVSEIVQKAKQDGLDTSKYDHL
Non polymer #3 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #4 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #5 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #6 HEM

InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;

Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
Non polymer #7 NAG

InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
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Reference