2024-10-12_00000166
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ligand
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8ZIN
Terephthalate 1,2-cis-dihydrodioldehydrogenase/Decarboxylase in complex with 2,4-dihydroxybenzoate.;
X-ray diffraction 2.50Å
Protein #1
335 residues (94% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMTIVHRRLALAIGDPHGIGPEIALKALQQLSATERSLIKVYGPWSALEQAAQICQMESLLQDLIHEEAGSLAQPVQCGEITPQAGLSTVQSATAAIRACESGEVDAVIACPHHETAIHRAGIAFSGYPSLLANVLGMNEDEVFLMLVGAGLRIVHVTLHESVRSALERLSPQLVINAVDAAVQTCTLLGVPKPQVAVFGINPHASEGQLFGLEDSQITVPAVETLRKRGLTVDGPMGADMVLAQRKHDLYVAMLHDQGHIPIKLLAPNGASALSIGGRVVLSSVGHGSAMDIAGRGVADATALLRTIALLGAQPV
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMTIVHRRLALAIGDPHGIGPEIALKALQQLSATERSLIKVYGPWSALEQAAQICQMESLLQDLIHEEAGSLAQPVQCGEITPQAGLSTVQSATAAIRACESGEVDAVIACPHHETAIHRAGIAFSGYPSLLANVLGMNEDEVFLMLVGAGLRIVHVTLHESVRSALERLSPQLVINAVDAAVQTCTLLGVPKPQVAVFGINPHASEGQLFGLEDSQITVPAVETLRKRGLTVDGPMGADMVLAQRKHDLYVAMLHDQGHIPIKLLAPNGASALSIGGRVVLSSVGHGSAMDIAGRGVADATALLRTIALLGAQPV
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
CO2
InChI=1S/CO2/c2-1-3
InChI=1S/CO2/c2-1-3
SMILES: C(=O)=O
C(=O)=O
Non polymer #4
DOB
InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
SMILES: c1cc(c(cc1O)O)C(=O)O
c1cc(c(cc1O)O)C(=O)O
Non polymer #5
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 #6
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
homo-tetramer
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Model
Reference
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