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- PDB-4mm6: Crystal structure of LeuBAT (delta13 mutant) in complex with (S)-... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4mm6 | ||||||
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Title | Crystal structure of LeuBAT (delta13 mutant) in complex with (S)-duloxetine | ||||||
![]() | Transporter | ||||||
![]() | TRANSPORT PROTEIN / transporter | ||||||
Function / homology | nitrogen compound transport / Sodium:neurotransmitter symporter / Sodium:neurotransmitter symporter superfamily / Sodium:neurotransmitter symporter family / Sodium:neurotransmitter symporter family profile. / sodium ion transmembrane transport / plasma membrane / Chem-29E / Na(+):neurotransmitter symporter (Snf family)![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wang, H. / Gouaux, E. | ||||||
![]() | ![]() Title: Structural basis for action by diverse antidepressants on biogenic amine transporters. Authors: Wang, H. / Goehring, A. / Wang, K.H. / Penmatsa, A. / Ressler, R. / Gouaux, E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 112.4 KB | Display | ![]() |
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PDB format | ![]() | 87 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 729.3 KB | Display | ![]() |
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Full document | ![]() | 735.2 KB | Display | |
Data in XML | ![]() | 19.3 KB | Display | |
Data in CIF | ![]() | 25.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4mm4C ![]() 4mm5C ![]() 4mm7C ![]() 4mm8C ![]() 4mm9C ![]() 4mmaC ![]() 4mmbC ![]() 4mmcC ![]() 4mmdC ![]() 4mmeC ![]() 4mmfC 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
#1: Protein | Mass: 57988.266 Da / Num. of mol.: 1 Mutation: N21Y, G24D, I106S, T254S, S256G, A261V, I262L, Y265F, E290S, I359G, P362G, G408T, T409G Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() | ||||
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#2: Chemical | #3: Chemical | ChemComp-29E / ( | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.71 Å3/Da / Density % sol: 54.67 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 100 mM NaPi, pH7.0, 100 mM NaCl, 32-34% PEG300, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Feb 14, 2013 |
Radiation | Monochromator: Cryogenically-cooled single crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 3.1→40 Å / Num. all: 11463 / Num. obs: 10993 / % possible obs: 95.9 % / Observed criterion σ(I): -3 / Redundancy: 2.9 % / Rmerge(I) obs: 0.123 / Net I/σ(I): 11.3 |
Reflection shell | Resolution: 3.1→3.21 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.518 / Mean I/σ(I) obs: 1.5 / % possible all: 80.4 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.1→38.796 Å
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Refine LS restraints |
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LS refinement shell |
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