2025-01-11_00000227

Protein #1 396 residues (99% resolved)

Raw Sequence ...

AAPAQVTEAPSSDKTQDRHDFHGQHQSGIVTPRPAAGMLVSFDVLASDRDDLERLFRTLDQRIAFLMRGGPVAQVDPKLPPLDSGILGPVVTPDNLTITVSVGESLFDERFGLEAAKPKRLIRMVGFPNDALEPACCHGDLSLQFCSNTADTNIHALRDIVKNLPDLLLVRWKQEGSVPPQAPAKPGEPAQSARNFLGFRDGSANPDSNDPKAMQQIVWVQPGSDEPAWAAHGSYQAVRIIRNFVERWDRTPLQEQESIIGRIKTSGAPMDGQKESQVPDYARDPHGKVTKLDAHIRLANPRTAQSQQNLILRRPFNYSNGVNKNGQLDMGLLFICYQADLEKGFIAVQTRLNGEPLEEYLKPTGGGYFFTLPGVTGEEDFIGRSLLDATRPKSTA

Canonical Sequence ...

Non polymer #2 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-;

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-;

SMILES: 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

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 #3 OXY

InChI=1S/O2/c1-2

SMILES: O=O

O=O

2025-01-11_00000227|medium|9AZ2

Canonical Sequence ...

SMILES: 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

InChI=1S/O2/c1-2

SMILES: O=O