2024-04-20_00000332|ligand|8YU6

The structure of thiocyanate dehydrogenase mutant with the H447Q substitution from Pelomicrobium methylotrophicum (pmTcDH H447Q), activated by crystal soaking with 1mM CuCl2 and 1 mM sodium ascorbate; X-ray diffraction 1.55Å
Protein #1 489 residues (96% resolved)

MGSDKIHHHHHHENLYFQGHMARTTKIEEFYAQFGKYILLVPGKFTGTVAAHDLSTGRTLAWLAGWNYGDTNPIMHHMAAFPSPDPYKGFEFIVNTQGGKNLFIYGIPTTVKEPGEGFNIYRVRYDGTKFNLVSNIAEKTGLGLGVHVTATPDGKGFAVADGQKDIFAEFDLATESVRTAFLVDWKPNNSDLKRAWLEGGTMTITRLKPTLPGGKYDYTGTKGCKIDWELVPGGELFLEEGKVTGTRQTNVVALDAFVYDPRGRWGALSARLPGVAIIFDRQDWEPVVALVGAKGEPSSLPVKKVASDTWEIKMDKVVTPAHQAGFSPDGKNFLFMNGVRQNNIMVWDTSNHADPTKWTKKAVVEDPGWRGSYPNTFHMVFTPDGRKVYVTLWWPSPTPNGIAVVDARNWKLLKSVDIGPDMQTLAITYDGKYVVGVFSGYQKTASGIVIMDTKSDEVVGILPSVGGHHDCVIVPKTVEDLRCSRCTTT

MGSDKIHHHHHHENLYFQGHMARTTKIEEFYAQFGKYILLVPGKFTGTVAAHDLSTGRTLAWLAGWNYGDTNPIMHHMAAFPSPDPYKGFEFIVNTQGGKNLFIYGIPTTVKEPGEGFNIYRVRYDGTKFNLVSNIAEKTGLGLGVHVTATPDGKGFAVADGQKDIFAEFDLATESVRTAFLVDWKPNNSDLKRAWLEGGTMTITRLKPTLPGGKYDYTGTKGCKIDWELVPGGELFLEEGKVTGTRQTNVVALDAFVYDPRGRWGALSARLPGVAIIFDRQDWEPVVALVGAKGEPSSLPVKKVASDTWEIKMDKVVTPAHQAGFSPDGKNFLFMNGVRQNNIMVWDTSNHADPTKWTKKAVVEDPGWRGSYPNTFHMVFTPDGRKVYVTLWWPSPTPNGIAVVDARNWKLLKSVDIGPDMQTLAITYDGKYVVGVFSGYQKTASGIVIMDTKSDEVVGILPSVGGHHDCVIVPKTVEDLRCSRCTTT
Non polymer #2 CL

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

[Cl-]
Non polymer #3 CU

InChI=1S/Cu/q+2

[Cu+2]
Non polymer #4 EDO

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

C(CO)O
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Reference