2026-11-07_00000242
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ligand
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9Z19
Crystal structure of the DNA preQ0 insertase DpdA bound to preQ0;
X-ray diffraction 1.66Å
Protein #1
424 residues (98% resolved)
Raw Sequence ...
GSHMHMASLSKLKYFFPDSQDFIDPSFDFVRETRNEHRVRQRDDHYPHEVFPHPYDGMLVSKAVVDGLGGGESKYTRAQRLRYFRNGMKHFFRLPDNMQTMGDCGAFTYVNQDVPPYRVEEVIEFYETSRFNYGVSLDHIIFGYEKPGESFSGEVLAECRRRQDITLTLAQDFLVKSQKSCFTPFGVAHGWNKKSYRQSVEALLAMGYKNITMGGMVPLKTAQILETLEEIKPLLKSDTQVHLLGIARPESFADFIRLGVTSIDSTTPLQQAFKDRKNNYHTPEGRAYTAVRVPQFDANPSLSRKIKSGVIDQDVARHLEKDAMHALFEYDNNALSLEKTLEAVLAYERLHSGEKEAEKIRADYERTLGDRPWRKCECNICRSIGINVIIFRGAERNRRRGFHNIQVLYNRLQYTLSLRSEDKS
Canonical Sequence ...
GSHMHMASLSKLKYFFPDSQDFIDPSFDFVRETRNEHRVRQRDDHYPHEVFPHPYDGMLVSKAVVDGLGGGESKYTRAQRLRYFRNGMKHFFRLPDNMQTMGDCGAFTYVNQDVPPYRVEEVIEFYETSRFNYGVSLDHIIFGYEKPGESFSGEVLAECRRRQDITLTLAQDFLVKSQKSCFTPFGVAHGWNKKSYRQSVEALLAMGYKNITMGGMVPLKTAQILETLEEIKPLLKSDTQVHLLGIARPESFADFIRLGVTSIDSTTPLQQAFKDRKNNYHTPEGRAYTAVRVPQFDANPSLSRKIKSGVIDQDVARHLEKDAMHALFEYDNNALSLEKTLEAVLAYERLHSGEKEAEKIRADYERTLGDRPWRKCECNICRSIGINVIIFRGAERNRRRGFHNIQVLYNRLQYTLSLRSEDKS
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
PQ0
InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
SMILES: c1c(c2c([nH]1)N=C(NC2=O)N)C#N
c1c(c2c([nH]1)N=C(NC2=O)N)C#N
Non polymer #5
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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