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- PDB-7f6s: Crystal structure of metal-citrate-binding mutant (T199A) protein... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7f6s | |||||||||
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Title | Crystal structure of metal-citrate-binding mutant (T199A) protein (MctA) of ABC transporter in apo state | |||||||||
![]() | Iron ABC transporter, periplasmic iron-binding protein | |||||||||
![]() | TRANSPORT PROTEIN / Substrate-binding protein / metal ion / secondary transporter / symporter | |||||||||
Function / homology | Bacterial extracellular solute-binding protein / Bacterial extracellular solute-binding protein / outer membrane-bounded periplasmic space / metal ion binding / CARBON DIOXIDE / GLYCOLIC ACID / DI(HYDROXYETHYL)ETHER / Iron ABC transporter, periplasmic iron-binding protein![]() | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Kanaujia, S.P. / Mandal, S.K. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural and thermodynamic insights into a novel Mg 2+ -citrate-binding protein from the ABC transporter superfamily. Authors: Mandal, S.K. / Kanaujia, S.P. #1: ![]() Title: Structural and thermodynamic insights into a novel Mg2+-citrate-binding protein from the ABC transporter superfamily Authors: Mandal, S.K. / Kanaujia, S.P. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 155.5 KB | Display | ![]() |
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PDB format | ![]() | 119.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 477 KB | Display | ![]() |
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Full document | ![]() | 479 KB | Display | |
Data in XML | ![]() | 17.2 KB | Display | |
Data in CIF | ![]() | 25.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7f6eSC ![]() 7f6fC ![]() 7f6kC ![]() 7f6nC ![]() 7f6oC ![]() 7f6pC ![]() 7f6qC ![]() 7f6rC ![]() 7f6tC ![]() 7f6uC S: Starting model for refinement C: citing same article ( |
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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 on special symmetry positions |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 38153.387 Da / Num. of mol.: 1 / Mutation: T199A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ATCC 27634 / DSM 579 / HB8 / Gene: TTHB177 / Plasmid: pET22b / Production host: ![]() ![]() |
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-Non-polymers , 8 types, 245 molecules ![](data/chem/img/NA.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/CO2.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/GOA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/CO2.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/GOA.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-NA / | ||||||||
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#3: Chemical | ChemComp-CL / | ||||||||
#4: Chemical | ChemComp-CO2 / | ||||||||
#5: Chemical | #6: Chemical | #7: Chemical | ChemComp-GOL / | #8: Chemical | ChemComp-GOA / | #9: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | N |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.61 Å3/Da / Density % sol: 52.87 % / Description: Orthorhombic |
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Crystal grow | Temperature: 293 K / Method: microbatch / pH: 7 Details: 0.2 M ammonium tartrate dibasic pH 7.0, 20% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() | ||||||||||||||||||||||||||||||
Detector | Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Jul 24, 2019 / Details: VariMax HF | ||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||
Reflection | Resolution: 1.8→48.8 Å / Num. obs: 37221 / % possible obs: 100 % / Redundancy: 9.6 % / CC1/2: 0.999 / Rmerge(I) obs: 0.069 / Rpim(I) all: 0.023 / Rrim(I) all: 0.073 / Net I/σ(I): 19 | ||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Phasing
Phasing | Method: ![]() | ||||||
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Phasing MR | Model details: Phaser MODE: MR_AUTO
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7F6E Resolution: 1.8→48.8 Å / Cor.coef. Fo:Fc: 0.972 / Cor.coef. Fo:Fc free: 0.959 / SU B: 4.242 / SU ML: 0.065 / SU R Cruickshank DPI: 0.0986 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.099 / ESU R Free: 0.096 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: U VALUES : WITH TLS ADDED HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 83.23 Å2 / Biso mean: 28.577 Å2 / Biso min: 12.43 Å2
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Refinement step | Cycle: final / Resolution: 1.8→48.8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.8→1.84 Å / Rfactor Rfree error: 0
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Refinement TLS params. | Method: refined / Origin x: 4.8368 Å / Origin y: 37.1827 Å / Origin z: 28.832 Å
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