+Open data
-Basic information
Entry | Database: PDB / ID: 1nec | ||||||
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Title | NITROREDUCTASE FROM ENTEROBACTER CLOACAE | ||||||
Components | PROTEIN (NITROREDUCTASE) | ||||||
Keywords | OXIDOREDUCTASE / FLAVOPROTEIN / FMN | ||||||
Function / homology | Function and homology information 2,4,6-trinitrotoluene catabolic process / Oxidoreductases / oxidoreductase activity / cytosol Similarity search - Function | ||||||
Biological species | Enterobacter cloacae (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.95 Å | ||||||
Authors | Hecht, H.J. / Bryant, C. / Erdmann, H. / Pelletier, H. / Sawaya, R. | ||||||
Citation | Journal: To be Published Title: Crystal Structure of Nitroreductase from Enterobacter Cloacae Authors: Hecht, H.J. / Bryant, C. / Erdmann, H. / Pelletier, H. / Sawaya, R. #1: Journal: J.Biol.Chem. / Year: 1991 Title: Purification and Characterization of an Oxygen-Insensitive Nad(P)Hrt Nitroreductase from Enterobacter Cloacae Authors: Bryant, C. / Deluca, M. #2: Journal: J.Biol.Chem. / Year: 1991 Title: Cloning, Nucleotide Sequence, and Expression of the Nitroreductase Gene from Enterobacter Cloacae Authors: Bryant, C. / Hubbard, L. / Mcelroy, W.D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1nec.cif.gz | 184.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1nec.ent.gz | 146.7 KB | Display | PDB format |
PDBx/mmJSON format | 1nec.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1nec_validation.pdf.gz | 1.7 MB | Display | wwPDB validaton report |
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Full document | 1nec_full_validation.pdf.gz | 1.7 MB | Display | |
Data in XML | 1nec_validation.xml.gz | 38.2 KB | Display | |
Data in CIF | 1nec_validation.cif.gz | 52.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ne/1nec ftp://data.pdbj.org/pub/pdb/validation_reports/ne/1nec | HTTPS FTP |
-Related structure data
Related structure data | 1noxS S: Starting model for refinement |
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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: 23850.980 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Enterobacter cloacae (bacteria) / Strain: ATCC 43560 / Production host: Escherichia coli (E. coli) / References: UniProt: Q01234 #2: Chemical | ChemComp-FMN / #3: Water | ChemComp-HOH / | Sequence details | MET 1 HAS BEEN CLEAVED | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.17 Å3/Da / Density % sol: 43 % |
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Crystal grow | pH: 8.5 / Details: pH 8.5 |
-Data collection
Diffraction | Mean temperature: 295 K |
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Diffraction source | Wavelength: 1.5418 |
Detector | Type: XUONG-HAMLIN MULTIWIRE / Detector: AREA DETECTOR |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.95→20 Å / Num. obs: 52520 / % possible obs: 95 % / Observed criterion σ(I): 0 / Redundancy: 2 % / Rmerge(I) obs: 0.062 / Rsym value: 0.062 |
Reflection shell | Highest resolution: 2.1 Å / Mean I/σ(I) obs: 1.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1NOX Resolution: 1.95→20 Å / Cross valid method: THROUGHOUT / σ(F): 0 Details: RESIDUES 108-131 ARE DISORDERED IN CHAIN A AND CHAIN C
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Displacement parameters | Biso mean: 26.5 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.95→20 Å
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Refine LS restraints |
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