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- PDB-1g0e: SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1g0e | ||||||
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Title | SITE-SPECIFIC MUTANT (HIS64 REPLACED WITH ALA) OF HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH 4-METHYLIMIDAZOLE | ||||||
![]() | CARBONIC ANHYDRASE II | ||||||
![]() | LYASE / TWISTED BETA SHEET / CHEMICAL RESCUE / 4-METHYLIMIDAZOLE / ZINC METALLOENZYME / PROTEIN LIGAND COMPLEX | ||||||
Function / homology | ![]() 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 | ![]() | ||||||
Method | ![]() | ||||||
![]() | Duda, D. / McKenna, R. | ||||||
![]() | ![]() Title: Structural and kinetic analysis of the chemical rescue of the proton transfer function of carbonic anhydrase II. Authors: Duda, D. / Tu, C. / Qian, M. / Laipis, P. / Agbandje-McKenna, M. / Silverman, D.N. / McKenna, R. #1: ![]() Title: Structure of Native and Apo Carbonic Anhydrase II and Structure of Some of its Anion-ligand Complexes. Authors: Hakansson, K. / Carlsson, M. / Svensson, L.A. / Liljas, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 72.6 KB | Display | ![]() |
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PDB format | ![]() | 52.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 438.2 KB | Display | ![]() |
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Full document | ![]() | 440 KB | Display | |
Data in XML | ![]() | 15 KB | Display | |
Data in CIF | ![]() | 22.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Details | THE BIOLOGICAL ASSEMBLY IS A MONOMER CONSTRUCTED FROM CHAIN A |
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Components
#1: Protein | Mass: 29221.992 Da / Num. of mol.: 1 / Mutation: H64A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||
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#2: Chemical | ChemComp-ZN / | ||
#3: Chemical | ChemComp-HG / | ||
#4: Chemical | ChemComp-4MZ / | ||
#5: Water | ChemComp-HOH / | ||
Nonpolymer details | THE LIGAND 4MZ IS CALLED 4MI IN THE PUBLICATIOSequence details | RESIDUES 125 AND 127 ARE COVALENTLY | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.09 Å3/Da / Density % sol: 41.09 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 7.8 Details: Ammonium Sulfate, Mercury Chloride, Tris HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS / Detector: IMAGE PLATE / Date: Mar 28, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→25 Å / Num. all: 468251 / Num. obs: 28456 / % possible obs: 88.8 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 16.46 % / Biso Wilson estimate: 9.9 Å2 / Rmerge(I) obs: 0.047 / Net I/σ(I): 15.2 |
Reflection shell | Resolution: 1.6→25 Å / Redundancy: 16.46 % / Rmerge(I) obs: 0.047 / Num. unique all: 28456 / % possible all: 88.8 |
Reflection | *PLUS Num. measured all: 468251 |
Reflection shell | *PLUS Lowest resolution: 1.66 Å / % possible obs: 64.1 % / Num. unique obs: 2018 / Rmerge(I) obs: 0.107 |
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Processing
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Refinement | Resolution: 1.6→25 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 918664.21 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 1 / σ(I): 1 / Stereochemistry target values: Brunger & Adams
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 47.68 Å2 / ksol: 0.389 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 11.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.6→25 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.6→1.7 Å / Rfactor Rfree error: 0.016 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS σ(F): 1 / % reflection Rfree: 4.9 % / Rfactor all: 0.18 / Rfactor obs: 179 / Rfactor Rfree: 0.2 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 11.2 Å2 | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.207 / % reflection Rfree: 4.4 % / Rfactor Rwork: 0.188 |