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- PDB-2jjy: Crystal structure of Francisella tularensis enoyl reductase (ftFa... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2jjy | ||||||
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Title | Crystal structure of Francisella tularensis enoyl reductase (ftFabI) with bound NAD | ||||||
![]() | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE | ||||||
![]() | OXIDOREDUCTASE / FATTY ACID BIOSYNTHESIS | ||||||
Function / homology | NAD(P)-binding Rossmann-like Domain / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / NICOTINAMIDE-ADENINE-DINUCLEOTIDE / : ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Luckner, S.R. / Lu, H. / Truglio, J.J. / Tonge, P.J. / Kisker, C. | ||||||
![]() | ![]() Title: Slow-Onset Inhibition of the Fabi Enoyl Reductase from Francisella Tularensis: Residence Time and in Vivo Activity Authors: Lu, H. / England, K. / Am Ende, C. / Truglio, J.J. / Luckner, S.R. / Marlenee, N. / Knudson, S.E. / Knudson, D.L. / Bowen, R.A. / Kisker, C. / Slayden, R.A. / Tonge, P.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 190 KB | Display | ![]() |
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PDB format | ![]() | 153 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 750.8 KB | Display | ![]() |
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Full document | ![]() | 768.6 KB | Display | |
Data in XML | ![]() | 35.3 KB | Display | |
Data in CIF | ![]() | 48.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
NCS ensembles :
NCS oper:
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Components
#1: Protein | Mass: 28906.348 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Details: 6XHISTIDINE AT C-TERMINUS / Source: (natural) ![]() References: UniProt: Q14I55, enoyl-[acyl-carrier-protein] reductase (NADH) #2: Chemical | ChemComp-NAD / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.37 Å3/Da / Density % sol: 48.05 % / Description: NONE |
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Crystal grow | pH: 8 / Details: PEG 3350, MG ACETATE., pH 8 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.105 Å / Relative weight: 1 |
Reflection | Resolution: 2.9→36.32 Å / Num. obs: 24222 / % possible obs: 99.9 % / Observed criterion σ(I): 0 / Redundancy: 5.2 % / Biso Wilson estimate: 49.4 Å2 / Rmerge(I) obs: 0.18 / Net I/σ(I): 10.6 |
Reflection shell | Resolution: 2.9→3 Å / Redundancy: 5.2 % / Rmerge(I) obs: 0.58 / Mean I/σ(I) obs: 3.4 / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure: ![]() Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES A194 - A204 DISORDERED; RESIDUES B196 - B211 DISORDERED; RESIDUES C193 - C207 DISORDERED; RESIDUES D193 - C204 DISORDERED; ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES A194 - A204 DISORDERED; RESIDUES B196 - B211 DISORDERED; RESIDUES C193 - C207 DISORDERED; RESIDUES D193 - C204 DISORDERED; ADDITIONAL RESIDUES AT C- TERMINUS OF CHAIN A, B, C FROM 6XHISTIDINE TAG.
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Solvent computation | Ion probe radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL PLUS MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 9.03 Å2
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Refinement step | Cycle: LAST / Resolution: 2.9→36.32 Å
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Refine LS restraints |
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