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Structure paper

TitleThe Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Journal, issue, pagesBiomolecules, Vol. 10, Year 2020
Publish dateApr 18, 2019 (structure data deposition date)
AuthorsGlockner, S. / Ngo, K. / Wagner, B. / Heine, A. / Klebe, G.
External linksBiomolecules / PubMed:32230853
MethodsX-ray diffraction
Resolution0.929 - 1.14 Å
Structure data

PDB-6rh4:
Human Carbonic Anhydrase II in complex with 4-Nitrobenzenesulfonamide.
Method: X-RAY DIFFRACTION / Resolution: 0.948 Å

PDB-6rit:
Human Carbonic Anhydrase II in complex with 2-Fluorobenzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.007 Å

PDB-6rjj:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.056 Å

PDB-6rkn:
Human Carbonic Anhydrase II in complex with a fluorinated Benzenesulfonamide.
Method: X-RAY DIFFRACTION / Resolution: 0.959 Å

PDB-6rl9:
Human Carbonic Anhydrase II in complex with 4-Aminobenzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1 Å

PDB-6rnp:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.07 Å

PDB-6rob:
Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 0.929 Å

PDB-6roe:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 0.939 Å

PDB-6rqi:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 0.95 Å

PDB-6rrg:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.127 Å

PDB-6rri:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.097 Å

PDB-6rs5:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.07 Å

PDB-6rsz:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.089 Å

PDB-6s9g:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.14 Å

PDB-6sd7:
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide and its dimer
Method: X-RAY DIFFRACTION / Resolution: 1.05 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-HG:
Unknown entry

ChemComp-BE7:
(4-CARBOXYPHENYL)(CHLORO)MERCURY / protease inhibitor*YM

ChemComp-BGC:
beta-D-glucopyranose

ChemComp-GLC:
alpha-D-glucopyranose

ChemComp-4NZ:
4-nitrobenzenesulfonamide

ChemComp-HOH:
WATER

ChemComp-FBV:
2-fluorobenzenesulfonamide

ChemComp-K5W:
2,3-bis(fluoranyl)benzenesulfonamide

ChemComp-FBS:
4-FLUOROBENZENESULFONAMIDE

ChemComp-SAN:
SULFANILAMIDE / antibiotic*YM

ChemComp-KBB:
2,5-bis(fluoranyl)benzenesulfonamide

ChemComp-KBZ:
4-cyanobenzenesulfonamide

ChemComp-FBT:
2,6-DIFLUOROBENZENESULFONAMIDE

ChemComp-FBW:
3-fluorobenzenesulfonamide

ChemComp-FBU:
3,5-DIFLUOROBENZENESULFONAMIDE

ChemComp-KFH:
2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

ChemComp-KGK:
2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide

ChemComp-KJ5:
4-ethyl-2,3,5,6-tetrakis(fluoranyl)benzenesulfonamide

ChemComp-L1Q:
2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide

ChemComp-L7T:
2,3,4,5,6-pentafluorobenzenesulfonamide

ChemComp-SXG:
2,3,4,5,6-pentafluoro-N-(2,3,5,6-tetrafluoro-4-sulfamoylphenyl)benzenesulfonamide

Source
  • homo sapiens (human)
KeywordsLYASE / Inihibitor / complex / CO2 conversion / Inhibitor

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