2024-12-14_00000217|ligand|8R2S

Heme-dependent l-tyrosine hydroxylase (TyrH) from Streptomyces sclerotialus: fourfold mutant; X-ray diffraction 2.70Å
Protein #1 314 residues (87% resolved)

MNTGTGTVLTELPDHGRWDFGDFPYGLEPLTLPEPGSLEAADSGSVPAEFTLTCRHIAAIAAGGGPAERVQPADSEDRLYWFRWITGHQVTFILWQLLSRELARLPEEGPERDAALKAMTRYVRGYCAMLLYTGSMPRTVMGDVIRPSMFLQHPGFSGTWAPDHKPVQALFRGKKLPCVRDSADLAQAVHVYQVIHAGIAARLVPSGRSLLQEASVPSGVQHPDVLGVVYDNYFLTLRSRPSSRDVVAQLLRRLTAIALDVKDNALYPDGAEAGSELPEELTRPEVTGHERDFLAILSEVAEEATGSPALASDR

MNTGTGTVLTELPDHGRWDFGDFPYGLEPLTLPEPGSLEAADSGSVPAEFTLTCRHIAAIAAGGGPAERVQPADSEDRLYWFRWITGHQVTFILWQLLSRELARLPEEGPERDAALKAMTRYVRGYCAMLLYTGSMPRTVMGDVIRPSMFLQHPGFSGTWAPDHKPVQALFRGKKLPCVRDSADLAQAVHVYQVIHAGIAARLVPSGRSLLQEASVPSGVQHPDVLGVVYDNYFLTLRSRPSSRDVVAQLLRRLTAIALDVKDNALYPDGAEAGSELPEELTRPEVTGHERDFLAILSEVAEEATGSPALASDR
Non polymer #2 ACT

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

CC(=O)[O-]
Non polymer #3 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 #4 IND

InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H

c1ccc2c(c1)cc[nH]2
Non polymer #5 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
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Reference