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- PDB-5bne: Bianthranilate-like inhibitor with 6 atom "line" and phosphonate ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5bne | |||||||||
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Title | Bianthranilate-like inhibitor with 6 atom "line" and phosphonate "hook" fishing for hydrogen bond donors in Mycobacterium tuberculosis anthranilate phosphoribosyltransferase (AnPRT; trpD) | |||||||||
![]() | Anthranilate phosphoribosyltransferase | |||||||||
![]() | TRANSFERASE/TRANSFERASE INHIBITOR / inhibitor / complex / Lobenzarit-like analogue / TrpD / AnPRT / TB Structural Genomics Consortium / TBSGC / phosphoribosyltransferase / magnesium binding / phosphoribosylpyrophosphate / PRPP / TRANSFERASE-TRANSFERASE INHIBITOR complex | |||||||||
Function / homology | ![]() anthranilate phosphoribosyltransferase / anthranilate phosphoribosyltransferase activity / tryptophan biosynthetic process / magnesium ion binding / extracellular region / plasma membrane / cytosol Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Evans, G.L. / Baker, E.N. / Lott, J.S. / TB Structural Genomics Consortium (TBSGC) | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Binding and mimicking of the phosphate-rich substrate, PRPP. Authors: Evans, G.L. / Baker, E.N. / Lott, J.S. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 251.7 KB | Display | ![]() |
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PDB format | ![]() | 198.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 5bo2C ![]() 5bo3C ![]() 5bytC ![]() 5c1rC ![]() 3qr9S 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 38948.012 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P9WFX5, anthranilate phosphoribosyltransferase #2: Chemical | #3: Chemical | ChemComp-IMD / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.29 Å3/Da / Density % sol: 46.27 % / Description: Flat-diamond shape |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 0.2 M imidazole-malate, 15% PEG-4000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Apr 25, 2015 |
Radiation | Monochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9537 Å / Relative weight: 1 |
Reflection | Resolution: 2.15→47 Å / Num. obs: 75079 / % possible obs: 98.4 % / Observed criterion σ(I): -3 / Redundancy: 3 % / Rmerge(I) obs: 0.111 / Net I/σ(I): 6.9 |
Reflection shell | Resolution: 2.15→2.19 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.711 / Mean I/σ(I) obs: 1.5 / % possible all: 97.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 3QR9 chain A Resolution: 2.15→46.972 Å / SU ML: 0.27 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 24.32 / Stereochemistry target values: ML
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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: 2.15→46.972 Å
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Refine LS restraints |
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LS refinement shell |
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