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Structure paper

TitleStructure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
Journal, issue, pagesJ. Mol. Biol., Vol. 428, Page 3999-4012, Year 2016
Publish dateMay 9, 2014 (structure data deposition date)
AuthorsDriggers, C.M. / Kean, K.M. / Hirschberger, L.L. / Cooley, R.B. / Stipanuk, M.H. / Karplus, P.A.
External linksJ. Mol. Biol. / PubMed:27477048
MethodsX-ray diffraction
Resolution1.2469 - 1.6 Å
Structure data

PDB-4pix:
Unliganded Cysteine Dioxygenase C93A variant at pH 6.2
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-4piy:
Homocysteine bound Cysteine Dioxygenase C93A variant at pH 6.2
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

PDB-4piz:
Homocysteine-bound Cysteine Dioxygenase at pH 6.2
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-4pjy:
Azide bound Cysteine Dioxygenase at pH 6.2
Method: X-RAY DIFFRACTION / Resolution: 1.501 Å

PDB-4xet:
Fe-Cl bound Y157F CDO at pH ~7.0 in the presence of azide
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-4xez:
cysteine dioxygenase variant - Y157F at pH 8.0 with dithionite
Method: X-RAY DIFFRACTION / Resolution: 1.2469 Å

PDB-4xf0:
cysteine dioxygenase variant - C93A at pH 8.0 with cysteine
Method: X-RAY DIFFRACTION / Resolution: 1.3994 Å

PDB-4xf1:
cysteine dioxygenase variant - Y157F at pH 8.0 with cysteine
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4xf3:
cysteine dioxygenase variant - Y157F at pH 8.0 with cysteine and dithionite
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-4xf4:
Cysteine dioxygenase at pH 8.0 in complex with homocysteine
Method: X-RAY DIFFRACTION / Resolution: 1.3485 Å

PDB-4xf9:
cysteine dioxygenase variant - C93A at pH 8.0 in complex with homocysteine
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-4xfb:
cysteine dioxygenase variant - C93A at pH 8.0 unliganded
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-4xfc:
cysteine dioxygenase variant - Y157F at pH 6.2 unliganded
Method: X-RAY DIFFRACTION / Resolution: 1.351 Å

PDB-4xff:
cysteine dioxygenase variant - Y157F at pH 6.2 with dithionite
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

PDB-4xfg:
cysteine dioxygenase variant - C93A at pH 6.2 with cysteine
Method: X-RAY DIFFRACTION / Resolution: 1.401 Å

PDB-4xfh:
cysteine dioxygenase variant - Y157F at pH 6.2 with cysteine
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-4xfi:
cysteine dioxygenase variant - Y157F at pH 6.2 with homocysteine
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-5i0r:
D-cysteine bound C93A mutant of Cysteine Dioxygenase at pH 8
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-5i0s:
Thiosulfate bound Cysteine Dioxygenase at pH 6.2
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5i0t:
Thiosulfate bound Cysteine Dioxygenase at pH 6.8
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

PDB-5i0u:
Incompletely interpreted D-cysteine soak of Cysteine Dioxygenase at pH 7.0
Method: X-RAY DIFFRACTION / Resolution: 1.25 Å

Chemicals

ChemComp-FE:
Unknown entry / Iron

ChemComp-CL:
Unknown entry / Chloride

ChemComp-HOH:
WATER / Water

ChemComp-HCS:
2-AMINO-4-MERCAPTO-BUTYRIC ACID / Homocysteine

ChemComp-AZI:
AZIDE ION / Azide

ChemComp-THJ:
THIOSULFATE / Thiosulfate

ChemComp-CYS:
CYSTEINE / Cysteine

ChemComp-DCY:
D-CYSTEINE / Cysteine

Source
  • rattus norvegicus (Norway rat)
KeywordsOXIDOREDUCTASE / Cupin Fold / cysteine to cysteine sulfinic acid catalysis / Cytosol / catalyzes oxidation / cysteine to cysteine sulfinate / C93-Y157 crosslink / thiol dioxygenase / cupin-fold / D-cysteine / catalysis oxidation / thiosulfate

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