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Yorodumi- PDB-1cin: THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYD... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1cin | ||||||
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Title | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | ||||||
Components | CARBONIC ANHYDRASE II | ||||||
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 / morphogenesis of an epithelium / regulation of intracellular pH / 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 / zinc ion binding / extracellular exosome / plasma membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.1 Å | ||||||
Authors | Smith, G.M. / Alexander, R.S. / Christianson, D.W. / Mckeever, B.M. / Ponticello, G.S. / Springer, J.P. / Randall, W.C. / Baldwin, J.J. / Habecker, C.N. | ||||||
Citation | Journal: Protein Sci. / Year: 1994 Title: Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors. Authors: Smith, G.M. / Alexander, R.S. / Christianson, D.W. / McKeever, B.M. / Ponticello, G.S. / Springer, J.P. / Randall, W.C. / Baldwin, J.J. / Habecker, C.N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1cin.cif.gz | 67.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1cin.ent.gz | 48.6 KB | Display | PDB format |
PDBx/mmJSON format | 1cin.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1cin_validation.pdf.gz | 432.4 KB | Display | wwPDB validaton report |
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Full document | 1cin_full_validation.pdf.gz | 436.7 KB | Display | |
Data in XML | 1cin_validation.xml.gz | 7.1 KB | Display | |
Data in CIF | 1cin_validation.cif.gz | 11.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ci/1cin ftp://data.pdbj.org/pub/pdb/validation_reports/ci/1cin | HTTPS FTP |
-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: CIS PROLINE - PRO 30 / 2: RESIDUES 125 AND 127 ARE ADJACENT IN THE SEQUENCE. / 3: CIS PROLINE - PRO 202 |
-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-ZN / |
#3: Chemical | ChemComp-MMC / |
#4: Chemical | ChemComp-MTS / ( |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.17 Å3/Da / Density % sol: 43.23 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS Temperature: 4 ℃ / pH: 8 / Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 2.1 Å / Num. obs: 21019 / Num. measured all: 32557 / Rmerge(I) obs: 0.078 |
-Processing
Software |
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Refinement | Highest resolution: 2.1 Å | ||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 2.1 Å
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Refinement | *PLUS Highest resolution: 2.1 Å / Lowest resolution: 6 Å / Num. reflection obs: 13229 / Rfactor obs: 0.172 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS Biso mean: 13.4 Å2 | ||||||||||||
Refine LS restraints | *PLUS
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