2024-09-28_00000227
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ligand
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9DR5
Crystal structure of Catechol 1,2-dioxygenase from Burkholderia multivorans (Zinc bound, P1 form);
X-ray diffraction 1.71Å
Protein #1
319 residues (97% resolved)
Raw Sequence ...
MAHHHHHHMSVKVFDTKEVQDLLKAAANLNGDAGNARFRQIVHRLLSDLFKAIDDLDITPDEVWAGVNYLNKLGQDGEAALLAAGIGLEKYLDIRMDAADRAAGLDGGTPRTIEGPLYVAGAPVRDGVAKIDLDDDADAGPLVIRGTVTGTDGKPLAGALVECWHANSKGFYSHFDPTGAQTAFNLRGAVRTDANGKYEFRTLMPVGYGCPPQGATQQLLNGLGRHGNRPAHVHFFVSGDGHRKLTTQFNIEGDPLIWDDFAYATREELIPHVVDKTGGAALGMKSDAYKEIEFDIVLTPLLDGRDNQVVHRPRASADA
Canonical Sequence ...
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
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
SMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #4
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Non polymer #5
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Non polymer #6
PGE
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
SMILES: C(COCCOCCO)O
C(COCCOCCO)O
Non polymer #7
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Biounit #3
homo-dimer
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Biounit #4
homo-dimer
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Model
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