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Structure paper

TitleIntrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Journal, issue, pagesEur. Biophys. J., Vol. 47, Page 271-290, Year 2018
Publish dateMar 10, 2016 (structure data deposition date)
AuthorsMickeviciute, A. / Timm, D.D. / Gedgaudas, M. / Linkuviene, V. / Chen, Z. / Waheed, A. / Michailoviene, V. / Zubriene, A. / Smirnov, A. / Capkauskaite, E. ...Mickeviciute, A. / Timm, D.D. / Gedgaudas, M. / Linkuviene, V. / Chen, Z. / Waheed, A. / Michailoviene, V. / Zubriene, A. / Smirnov, A. / Capkauskaite, E. / Baranauskiene, L. / Jachno, J. / Revuckiene, J. / Manakova, E. / Grazulis, S. / Matuliene, J. / Di Cera, E. / Sly, W.S. / Matulis, D.
External linksEur. Biophys. J. / PubMed:28975383
MethodsX-ray diffraction
Resolution1.8 - 2.1 Å
Structure data

PDB-5ipz:
Crystal structure of human carbonic anhydrase isozyme IV with 5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzenesulfonamide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5jn8:
Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5jn9:
Crystal structure for the complex of human carbonic anhydrase IV and ethoxyzolamide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-5jna:
Crystal structure for the complex of human carbonic anhydrase IV and topiramate
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5jnc:
Crystal structure for the complex of human carbonic anhydrase IV and 4-aminomethylbenzene sulfonamide
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-5ku6:
Crystal structure for the complex of human carbonic anhydrase IV and methazolamide
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-6CC:
5-(2-amino-1,3-thiazol-4-yl)-2-chlorobenzene-1-sulfonamide

ChemComp-HOH:
WATER

ChemComp-AZM:
5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE / medication*YM

ChemComp-SO4:
SULFATE ION

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-EZL:
6-ethoxy-1,3-benzothiazole-2-sulfonamide / medication, inhibitor*YM

ChemComp-TOR:
[(3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl sulfamate / medication*YM

ChemComp-6LH:
4-(aminomethyl)benzene-1-sulfonamide / medication, antibiotic*YM

ChemComp-MZM:
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide / inhibitor*YM

Source
  • homo sapiens (human)
KeywordsLYASE / drug design / carbonic anhydrase / benzenesulfonamide / metal-binding / lyase-lyase inhibitor complex / lyase/lyase inhibitor / Inhibitor binding / Zinc / Intrinsic thermodynamics / inhibitor

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