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Open data
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Basic information
Entry | Database: PDB / ID: 7xxt | ||||||
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Title | HapR Quadruple mutant, bound to IMTVC-212 | ||||||
![]() | Hemagglutinin/protease regulatory protein | ||||||
![]() | TRANSCRIPTION / HapR Master Regulator | ||||||
Function / homology | ![]() peptidase activity / transcription cis-regulatory region binding / DNA-binding transcription factor activity / proteolysis Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Basu Choudhury, G. / Chaudhari, V. / Ray Chaudhuri, S. / Datta, S. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Diversity in the ligand binding pocket of HapR attributes to its uniqueness towards several inhibitors with respect to other homologues - A structural and molecular perspective. Authors: Sen, H. / Choudhury, G.B. / Pawar, G. / Sharma, Y. / Bhalerao, S.E. / Chaudhari, V.D. / Datta, S. / Raychaudhuri, 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 | ![]() | 98.5 KB | Display | ![]() |
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PDB format | ![]() | 73.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 919.3 KB | Display | ![]() |
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Full document | ![]() | 910.2 KB | Display | |
Data in XML | ![]() | 10 KB | Display | |
Data in CIF | ![]() | 12.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7xxnC ![]() 7xxoC ![]() 7xxsC ![]() 7xy0C ![]() 7xy5C ![]() 7xyiC ![]() 7y4jC ![]() 2pbxS S: Starting model for refinement C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 23648.334 Da / Num. of mol.: 1 / Mutation: Y76F, L97I, I141V, F171C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Gene: hapR, D6U24_16025, ERS013186_00946, ERS013198_01284, ERS013202_02486 Production host: ![]() ![]() |
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#2: Chemical | ChemComp-DMS / |
#3: Chemical | ChemComp-7PI / |
#4: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.34 Å3/Da / Density % sol: 47.49 % |
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Crystal grow | Temperature: 297 K / Method: vapor diffusion, hanging drop / pH: 9.5 / Details: 7-8% PEg 8000, 100 mM CHES pH 9.5, 200 mM NaCl |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: Bruker PHOTON III / Detector: PIXEL / Date: Feb 2, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.49→27.35 Å / Num. obs: 14492 / % possible obs: 99.1 % / Redundancy: 9.1 % / CC1/2: 0.99 / Net I/σ(I): 12.6 |
Reflection shell | Resolution: 2.49→2.58 Å / Num. unique obs: 693 / CC1/2: 0.9 / % possible all: 90.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2PBX Resolution: 2.501→26.786 Å / SU ML: 0.34 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 27.99 / 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 119.12 Å2 / Biso mean: 45.6985 Å2 / Biso min: 18.23 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.501→26.786 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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