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Yorodumi- PDB-2ca2: CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARB... -
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-Basic information
Entry | Database: PDB / ID: 2ca2 | ||||||
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Title | CRYSTALLOGRAPHIC STUDIES OF INHIBITOR BINDING SITES IN HUMAN CARBONIC ANHYDRASE II. A PENTACOORDINATED BINDING OF THE SCN-ION TO THE ZINC AT HIGH P*H | ||||||
Components | CARBONIC ANHYDRASE IICarbonic anhydrase | ||||||
Keywords | LYASE(OXO-ACID) | ||||||
Function / homology | Function and homology information positive regulation of cellular pH reduction / positive regulation of dipeptide transmembrane transport / regulation of monoatomic anion transport / secretion / cyanamide hydratase / cyanamide hydratase activity / arylesterase activity / regulation of chloride transport / Reversible hydration of carbon dioxide / angiotensin-activated signaling pathway ...positive regulation of cellular pH reduction / positive regulation of dipeptide transmembrane transport / regulation of monoatomic anion transport / secretion / cyanamide hydratase / cyanamide hydratase activity / arylesterase activity / regulation of chloride transport / Reversible hydration of carbon dioxide / angiotensin-activated signaling pathway / positive regulation of synaptic transmission, GABAergic / regulation of intracellular pH / morphogenesis of an epithelium / carbonic anhydrase / carbonate dehydratase activity / carbon dioxide transport / Erythrocytes take up oxygen and release carbon dioxide / Erythrocytes take up carbon dioxide and release oxygen / neuron cellular homeostasis / one-carbon metabolic process / apical part of cell / myelin sheath / extracellular exosome / zinc ion binding / plasma membrane / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.9 Å | ||||||
Authors | Eriksson, A.E. / Kylsten, P.M. / Jones, T.A. / Liljas, A. | ||||||
Citation | Journal: Proteins / Year: 1988 Title: Crystallographic studies of inhibitor binding sites in human carbonic anhydrase II: a pentacoordinated binding of the SCN- ion to the zinc at high pH. Authors: Eriksson, A.E. / Kylsten, P.M. / Jones, T.A. / Liljas, A. #1: Journal: Proteins / Year: 1988 Title: Refined Structure of Human Carbonic Anhydrase II at 2.0 Angstroms Resolution Authors: Eriksson, A.E. / Jones, T.A. / Liljas, A. #2: Journal: Isozymes-Molecular Structure / Year: 1975 Title: Structural Relationship of Human Erythrocyte Carbonic Anhydrase Isozymes B and C Authors: Notstrand, B. / Vaara, I. / Kannan, K.K. #3: Journal: Cold Spring Harbor Symp.Quant.Biol. / Year: 1972 Title: Crystal Structure of Human Erythrocyte Carbonic Anhydrase C. Vi. The Three-Dimensional Structure at High Resolution in Relation to Other Mammalian Carbonic Anhydrases Authors: Kannan, K.K. / Liljas, A. / Waara, I. / Bergsten, P.-C. / Lovgren, S. / Strandberg, B. / Bengtsson, U. / Carlbom, U. / Fridborg, K. / Jarup, L. / Petef, M. #4: Journal: Nature New Biol. / Year: 1972 Title: Crystal Structure of Human Carbonic Anhydrase C Authors: Liljas, A. / Kannan, K.K. / Bergsten, P.-C. / Waara, I. / Fridborg, K. / Strandberg, B. / Carlbom, U. / Jarup, L. / Lovgren, S. / Petef, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2ca2.cif.gz | 68.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2ca2.ent.gz | 49.3 KB | Display | PDB format |
PDBx/mmJSON format | 2ca2.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ca/2ca2 ftp://data.pdbj.org/pub/pdb/validation_reports/ca/2ca2 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: RESIDUES 30 AND 202 ARE CIS-PROLINES. / 2: SEE REMARK 5. |
-Components
#1: Protein | Mass: 29157.863 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / References: UniProt: P00918, carbonic anhydrase |
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#2: Chemical | ChemComp-HG / |
#3: Chemical | ChemComp-SCN / |
#4: Chemical | ChemComp-ZN / |
#5: Water | ChemComp-HOH / |
Compound details | SECONDARY STRUCTURE ELEMENTS WERE DEFINED USING THE PROGRAM *DSSP* (W. KABSCH, C. SANDER, ...SECONDARY STRUCTURE ELEMENTS WERE DEFINED USING THE PROGRAM *DSSP* (W. KABSCH, C. SANDER, BIOPOLYMER |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 42.94 % | ||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 0-5 ℃ / pH: 8.5 / Method: microdialysis | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Reflection | *PLUS Highest resolution: 1.9 Å / Num. obs: 15770 / % possible obs: 94 % / Biso Wilson estimate: 0.19 Å2 |
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-Processing
Software | Name: PROLSQ / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Rfactor obs: 0.176 / Highest resolution: 1.9 Å Details: THE ELECTRON DENSITY IS WEAK FOR RESIDUES LYS 9, SER 43, LYS 159, ASN 253, AND LYS 257. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 1.9 Å
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Refine LS restraints |
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Refinement | *PLUS Rfactor obs: 0.176 / Highest resolution: 1.9 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |