2024-10-05_00000203|ligand|9DR8

Crystal structure of Catechol 1,2-dioxygenase from Burkholderia multivorans (Iron bound); X-ray diffraction 1.42Å
Protein #1 319 residues (97% resolved)

MAHHHHHHMSVKVFDTKEVQDLLKAAANLNGDAGNARFRQIVHRLLSDLFKAIDDLDITPDEVWAGVNYLNKLGQDGEAALLAAGIGLEKYLDIRMDAADRAAGLDGGTPRTIEGPLYVAGAPVRDGVAKIDLDDDADAGPLVIRGTVTGTDGKPLAGALVECWHANSKGFYSHFDPTGAQTAFNLRGAVRTDANGKYEFRTLMPVGYGCPPQGATQQLLNGLGRHGNRPAHVHFFVSGDGHRKLTTQFNIEGDPLIWDDFAYATREELIPHVVDKTGGAALGMKSDAYKEIEFDIVLTPLLDGRDNQVVHRPRASADA

MAHHHHHHMSVKVFDTKEVQDLLKAAANLNGDAGNARFRQIVHRLLSDLFKAIDDLDITPDEVWAGVNYLNKLGQDGEAALLAAGIGLEKYLDIRMDAADRAAGLDGGTPRTIEGPLYVAGAPVRDGVAKIDLDDDADAGPLVIRGTVTGTDGKPLAGALVECWHANSKGFYSHFDPTGAQTAFNLRGAVRTDANGKYEFRTLMPVGYGCPPQGATQQLLNGLGRHGNRPAHVHFFVSGDGHRKLTTQFNIEGDPLIWDDFAYATREELIPHVVDKTGGAALGMKSDAYKEIEFDIVLTPLLDGRDNQVVHRPRASADA
Non polymer #2 12P

InChI=1S/C24H50O13/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h25-26H,1-24H2

C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
Non polymer #3 2PE

InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2

C(COCCOCCOCCOCCOCCOCCOCCOCCO)O
Non polymer #4 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #5 FE

InChI=1S/Fe/q+3

[Fe+3]
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Reference