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- PDB-4us3: Crystal Structure of the bacterial NSS member MhsT in an Occluded... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4us3 | ||||||
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Title | Crystal Structure of the bacterial NSS member MhsT in an Occluded Inward-Facing State | ||||||
![]() | TRANSPORTER | ||||||
![]() | TRANSPORT PROTEIN / NEUROTRANSMITTER / NEUROTRANSMITTER SODIUM SYMPORTER FAMILY / LEUT FOLD / AMINO ACID TRANSPORTER / SECONDARY TRANSPORTER / MEMBRANE PROTEIN | ||||||
Function / homology | : / Sodium:neurotransmitter symporter / Sodium:neurotransmitter symporter superfamily / Sodium:neurotransmitter symporter family / Sodium:neurotransmitter symporter family profile. / membrane / TRYPTOPHAN / Sodium-dependent transporter![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Malinauskaite, L. / Quick, M. / Reinhard, L. / Lyons, J.A. / Yano, H. / Javitch, J.A. / Nissen, P. | ||||||
![]() | ![]() Title: A Mechanism for Intracellular Release of Na+ by Neurotransmitter/Sodium Symporters Authors: Malinauskaite, L. / Quick, M. / Reinhard, L. / Lyons, J.A. / Yano, H. / Javitch, J.A. / Nissen, 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 | ![]() | 102.5 KB | Display | ![]() |
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PDB format | ![]() | 78.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4us4C ![]() 2a65S C: citing same article ( S: Starting model for refinement |
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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
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 48360.844 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() References: UniProt: Q9KDT3 |
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-Sugars , 2 types, 10 molecules ![](data/chem/img/BNG.gif)
![](data/chem/img/LMU.gif)
![](data/chem/img/LMU.gif)
#4: Sugar | ChemComp-BNG / #5: Sugar | ChemComp-LMU / |
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-Non-polymers , 3 types, 80 molecules ![](data/chem/img/TRP.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/NA.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-TRP / | ||
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#3: Chemical | #6: Water | ChemComp-HOH / | |
-Details
Sequence details | THE LEADING THREE RESIDUES ARE LEFTOVER FROM THE EXPRESSION CONSTRUCT WITH THE LEAD METHIONINE ...THE LEADING THREE RESIDUES ARE LEFTOVER FROM THE EXPRESSION |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50.8 % Description: THE SEARCH MODEL FOR MR_ROSETTA WAS PREPARED WITH PHENIX SCULPTOR USING LEUT PDB ENTRY 2A65 AND PAIRWISE ALIGNMENT WITH MHST SEQUENCE |
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Crystal grow | pH: 7 Details: CRYSTALLISED USING HILIDE WITH DOPC AS ADDED LIPID. CRYSTALS WERE OBTAINED IN 20-24% W/W PEG400, 400 MM NACL, 100 MM TRIS-HCL PH 7.0, 5% TRIMETHYLAMINE-N-OXIDE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Aug 1, 2012 / Details: MIRRORS FOR HORIZONTAL AND VERTICAL FOCUSSING |
Radiation | Monochromator: HORIZONTALLY SIDE DIFFRACTING SI(111) CRYSTAL Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.8726 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→44 Å / Num. obs: 27894 / % possible obs: 98.7 % / Observed criterion σ(I): -3 / Redundancy: 3.8 % / Biso Wilson estimate: 28.3 Å2 / Rmerge(I) obs: 0.16 / Net I/σ(I): 8.9 |
Reflection shell | Resolution: 2.1→2.21 Å / Redundancy: 3.8 % / Rmerge(I) obs: 1.24 / Mean I/σ(I) obs: 1.15 / % possible all: 98.5 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PHENIX SCULPTOR MODEL WITH PDB ENTRY 2A65 Resolution: 2.098→43.972 Å / SU ML: 0.24 / σ(F): 1.34 / Phase error: 23.94 / Stereochemistry target values: ML Details: RESIDUES 8-448 BUILT IN THE STRUCTURE. MET A 180 MODELLED WITH AN ALTERNATIVE SIDE CHAIN CONFORMATION
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.4 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.098→43.972 Å
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Refine LS restraints |
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LS refinement shell |
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