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- PDB-1if9: Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1if9 | ||||||
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Title | Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide | ||||||
![]() | CARBONIC ANHYDRASE II![]() | ||||||
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Function / homology | ![]() positive regulation of cellular pH reduction / positive regulation of dipeptide transmembrane transport / regulation of monoatomic anion transport / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Grzybowski, B.A. / Ishchenko, A.V. / Kim, C.-Y. / Topalov, G. / Chapman, R. / Christianson, D.W. / Whitesides, G.M. / Shakhnovich, E.I. | ||||||
![]() | ![]() Title: Combinatorial computational method gives new picomolar ligands for a known enzyme. Authors: Grzybowski, B.A. / Ishchenko, A.V. / Kim, C.Y. / Topalov, G. / Chapman, R. / Christianson, D.W. / Whitesides, G.M. / Shakhnovich, E.I. | ||||||
History |
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Remark 999 | SEQUENCE THE RESIDUE NUMBERING IS NOT SEQUENTIAL. RESIDUE 125 IS COVALENTLY BOUND TO RESIDUE 127. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 71.3 KB | Display | ![]() |
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PDB format | ![]() | 50.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1if7C ![]() 1if8C ![]() 2cbaS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | ![]() Mass: 29157.863 Da / Num. of mol.: 1 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-SBB / |
#5: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.07 Å3/Da / Density % sol: 40.64 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 8 Details: methyl mercuric acetate, tris-sulfate, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IIC / Detector: IMAGE PLATE / Date: Feb 24, 2000 |
Radiation | Monochromator: YALE MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2→20 Å / Num. all: 16989 / Num. obs: 14322 / % possible obs: 94.4 % / Observed criterion σ(F): 2 / Redundancy: 4.4 % / Biso Wilson estimate: 19.46 Å2 / Rmerge(I) obs: 0.135 / Net I/σ(I): 6.3 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 2CBA Resolution: 2→20 Å / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 2→20 Å
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Refine LS restraints |
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