2026-04-18_00000129|ligand|9O4D

GutD in complex with guanine and cWW; X-ray diffraction 2.30Å
Protein #1 414 residues (95% resolved)

MGTVEPLETLEFPLSRRGDVMPAECAALREKAPVARVRTLTGDSAWLVSSHALAKQVLEDERFSLRHTASEGVPRQYALTIPPEVVNNMGNINSAGLRSAVMKALNPRAAGLTEWLRATADELIDALLTEGPPADFRAGFADPFSAALHCRVIGVPFGEWRRLMSGLDIAFMTSAEPFDGSRVNWYKDVDLMVRRLNAPPERRSGLLGALAALREERESAHLTDEMLATVAVSLFGAGAVSTSSFLVLAVLALLQHPELIGYLREHPERMDRAVEELLRWNLSIGDGLPRIALEDVRLGETLVRKGELVLVLVEAANFDPAVFKDPERLDLAREDNPHLSFGAGRHFCPATALGRAHAATALAALVERMPELRLAVPPEQLVWRTGFIKRLPERLPVLWLVPRGSGSSHHHHHH

MGTVEPLETLEFPLSRRGDVMPAECAALREKAPVARVRTLTGDSAWLVSSHALAKQVLEDERFSLRHTASEGVPRQYALTIPPEVVNNMGNINSAGLRSAVMKALNPRAAGLTEWLRATADELIDALLTEGPPADFRAGFADPFSAALHCRVIGVPFGEWRRLMSGLDIAFMTSAEPFDGSRVNWYKDVDLMVRRLNAPPERRSGLLGALAALREERESAHLTDEMLATVAVSLFGAGAVSTSSFLVLAVLALLQHPELIGYLREHPERMDRAVEELLRWNLSIGDGLPRIALEDVRLGETLVRKGELVLVLVEAANFDPAVFKDPERLDLAREDNPHLSFGAGRHFCPATALGRAHAATALAALVERMPELRLAVPPEQLVWRTGFIKRLPERLPVLWLVPRGSGSSHHHHHH
Non polymer #2 CL

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

[Cl-]
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 GUN

InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)

c1[nH]c2c(n1)C(=O)NC(=N2)N
Non polymer #5 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 #6 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #7 PEG

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

C(COCCO)O
Non polymer #8 UYM

InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1

c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N[C@H](C(=O)N3)Cc4c[nH]c5c4cccc5
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Reference