2026-02-28_00000154|ligand|9M2K

Type I PQQ-dependent alcohol dehydrogenase; X-ray diffraction 2.63Å
Protein #1 602 residues (93% resolved)

MRQNVVGLALSTALIASLSAPAFAQHADGAATEAASAQSAIENFKPVTADDLAGANSANWPILRGNYQGWGYTPLDQINKDNVGQLQLAWSRTMEPGSNEGAAIAYNGVVYLGNANDVIQAIDGKTGDLIWEYRRKLPPASKFINSLGQAKRSIALFGDKVYFVSWDNFVVALDAKTGKLAWETNRGQGVEEGVSNSSGPIVVDGVVIAGSTCQFSGFGCYVTGTDAESGEELWRNTFIPRPGEEGDDTWGGAPYENRWMTGAWGQITYDPELDLVYYGSTGAGPASEVQRGTEGGTLAGTNTRFAVKPKTGEVVWKHQTLPRDNWDQECTFEMMVVSTTVNPNADADGMFSVGATLPRGETRKVLTGVPCKTGVAWQFDAETGDYFWSKATVAQNAVASIDDKGLVTVNEDMILKEPGKNYDFCPTFLGGRDWPSAGYLPASNLYVIPLSNACYDLTARTTEATPADVYNTDATVKLAPGKTNMGRVDAIDLATGETKWSFETTAALYDPVMTTGGDLVFVGSTDRVFRALDAATGKEVWSTRLPGAISGYTTSYSIDGRQYVAVVAGGSLGTSFFKAAVPNVDAVQGGNGIYVFALPEAK

MRQNVVGLALSTALIASLSAPAFAQHADGAATEAASAQSAIENFKPVTADDLAGANSANWPILRGNYQGWGYTPLDQINKDNVGQLQLAWSRTMEPGSNEGAAIAYNGVVYLGNANDVIQAIDGKTGDLIWEYRRKLPPASKFINSLGQAKRSIALFGDKVYFVSWDNFVVALDAKTGKLAWETNRGQGVEEGVSNSSGPIVVDGVVIAGSTCQFSGFGCYVTGTDAESGEELWRNTFIPRPGEEGDDTWGGAPYENRWMTGAWGQITYDPELDLVYYGSTGAGPASEVQRGTEGGTLAGTNTRFAVKPKTGEVVWKHQTLPRDNWDQECTFEMMVVSTTVNPNADADGMFSVGATLPRGETRKVLTGVPCKTGVAWQFDAETGDYFWSKATVAQNAVASIDDKGLVTVNEDMILKEPGKNYDFCPTFLGGRDWPSAGYLPASNLYVIPLSNACYDLTARTTEATPADVYNTDATVKLAPGKTNMGRVDAIDLATGETKWSFETTAALYDPVMTTGGDLVFVGSTDRVFRALDAATGKEVWSTRLPGAISGYTTSYSIDGRQYVAVVAGGSLGTSFFKAAVPNVDAVQGGNGIYVFALPEAK
Non polymer #2 B2S

InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9+,11-,12-,13-,14-,15+/m1/s1

CC1=C[C@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 PQQ

InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)

c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O
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Reference