+Open data
-Basic information
Entry | Database: PDB / ID: 4lu3 | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | The crystal structure of the human carbonic anhydrase XIV | |||||||||
Components | Carbonic anhydrase 14 | |||||||||
Keywords | Lyase/lyase Inhibitor / ZINC BINDING / GLYCOPROTEIN / MEMBRANE / Lyase-lyase Inhibitor complex | |||||||||
Function / homology | Function and homology information Reversible hydration of carbon dioxide / carbonic anhydrase / carbonate dehydratase activity / one-carbon metabolic process / basolateral plasma membrane / apical plasma membrane / zinc ion binding / membrane / plasma membrane Similarity search - Function | |||||||||
Biological species | Homo sapiens (human) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2 Å | |||||||||
Authors | Alterio, V. / De Simone, G. / Monti, S.M. | |||||||||
Citation | Journal: Biopolymers / Year: 2014 Title: The structural comparison between membrane-associated human carbonic anhydrases provides insights into drug design of selective inhibitors. Authors: Alterio, V. / Pan, P. / Parkkila, S. / Buonanno, M. / Supuran, C.T. / Monti, S.M. / De Simone, G. | |||||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 4lu3.cif.gz | 77.4 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb4lu3.ent.gz | 55.5 KB | Display | PDB format |
PDBx/mmJSON format | 4lu3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/lu/4lu3 ftp://data.pdbj.org/pub/pdb/validation_reports/lu/4lu3 | HTTPS FTP |
---|
-Related structure data
Related structure data | 1rj5S S: Starting model for refinement |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-Components
-Protein / Sugars , 2 types, 2 molecules A
#1: Protein | Mass: 31318.736 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: CA14, UNQ690/PRO1335 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q9ULX7, carbonic anhydrase |
---|---|
#2: Polysaccharide | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2- ...alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose Source method: isolated from a genetically manipulated source |
-Non-polymers , 5 types, 227 molecules
#3: Chemical | ChemComp-ZN / | ||||
---|---|---|---|---|---|
#4: Chemical | ChemComp-AZM / | ||||
#5: Chemical | ChemComp-GOL / #6: Chemical | #7: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 3.14 Å3/Da / Density % sol: 60.87 % |
---|---|
Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 2M Ammonium sulfate, 0.1M TRIS-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.54178 Å |
Detector | Type: RIGAKU SATURN 944 / Detector: CCD / Date: Jan 10, 2012 / Details: mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54178 Å / Relative weight: 1 |
Reflection | Resolution: 2→20 Å / Num. all: 29992 / Num. obs: 29992 / % possible obs: 100 % / Redundancy: 8.4 % / Rmerge(I) obs: 0.088 / Net I/σ(I): 18.4 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 4.6 % / Rmerge(I) obs: 0.426 / Mean I/σ(I) obs: 3.2 / % possible all: 100 |
-Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1RJ5 Resolution: 2→20 Å / Isotropic thermal model: Isotropic / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→20 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|