+Open data
-Basic information
Entry | Database: PDB / ID: 2can | ||||||
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Title | HUMAN ORNITHINE AMINOTRANSFERASE COMPLEXED WITH L-CANALINE | ||||||
Components | ORNITHINE AMINOTRANSFERASE | ||||||
Keywords | TRANSFERASE / ORNITHINE AMINOTRANSFERASE / UREA CYCLE / PYRIDOXAL-5'-PHOSPHATE | ||||||
Function / homology | Function and homology information arginine catabolic process to proline via ornithine / ornithine aminotransferase activity / ornithine aminotransferase / arginine catabolic process to glutamate / L-proline biosynthetic process / Glutamate and glutamine metabolism / visual perception / pyridoxal phosphate binding / mitochondrial matrix / mitochondrion ...arginine catabolic process to proline via ornithine / ornithine aminotransferase activity / ornithine aminotransferase / arginine catabolic process to glutamate / L-proline biosynthetic process / Glutamate and glutamine metabolism / visual perception / pyridoxal phosphate binding / mitochondrial matrix / mitochondrion / nucleoplasm / identical protein binding / cytoplasm Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Shah, S.A. / Shen, B.W. / Brunger, A.T. | ||||||
Citation | Journal: Structure / Year: 1997 Title: Human ornithine aminotransferase complexed with L-canaline and gabaculine: structural basis for substrate recognition. Authors: Shah, S.A. / Shen, B.W. / Brunger, A.T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2can.cif.gz | 286.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2can.ent.gz | 231.7 KB | Display | PDB format |
PDBx/mmJSON format | 2can.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2can_validation.pdf.gz | 468.6 KB | Display | wwPDB validaton report |
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Full document | 2can_full_validation.pdf.gz | 489.7 KB | Display | |
Data in XML | 2can_validation.xml.gz | 46.9 KB | Display | |
Data in CIF | 2can_validation.cif.gz | 64.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ca/2can ftp://data.pdbj.org/pub/pdb/validation_reports/ca/2can | HTTPS FTP |
-Related structure data
Related structure data | 1gbnC 1oatS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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-Components
#1: Protein | Mass: 44706.156 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Details: BOUND INHIBITOR L-CANALINE / Source: (gene. exp.) Homo sapiens (human) / Production host: Escherichia coli (E. coli) / References: UniProt: P04181, ornithine aminotransferase #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 51.9 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 6.5 / Details: pH 6.5 | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7.8 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.9417 |
Detector | Type: PRINCETON 2K / Detector: CCD / Date: Jan 10, 1996 / Details: DUAL SLITS |
Radiation | Monochromator: CRYSTAL / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9417 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→50 Å / Num. obs: 56813 / % possible obs: 87.4 % / Observed criterion σ(I): 2 / Redundancy: 4.3 % / Biso Wilson estimate: 23.2 Å2 / Rmerge(I) obs: 0.098 / Rsym value: 0.098 / Net I/σ(I): 13.7 |
Reflection shell | Resolution: 2.3→2.38 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.18 / Mean I/σ(I) obs: 5.33 / Rsym value: 0.18 / % possible all: 66.3 |
Reflection shell | *PLUS % possible obs: 66.3 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1OAT Resolution: 2.3→50 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 530974.48 / Data cutoff low absF: 0.0001 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2 / Details: BULK SOLVENT MODEL USED
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Displacement parameters | Biso mean: 28.7 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.3→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.44 Å / Rfactor Rfree error: 0.011 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: X-PLOR / Version: 3.851 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.2099 / Rfactor Rfree: 0.2366 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.295 / Num. reflection Rwork: 4654 / Rfactor obs: 0.262 |