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- PDB-7cb1: Structure of Serratia marcescens chitinase B complexed with compo... -
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Open data
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Basic information
Entry | Database: PDB / ID: 7cb1 | ||||||
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Title | Structure of Serratia marcescens chitinase B complexed with compound 6q | ||||||
![]() | Chitinase B | ||||||
![]() | HYDROLASE / chitinase / Serratia marcescens | ||||||
Function / homology | ![]() chitinase / chitinase activity / chitin binding / polysaccharide catabolic process / carbohydrate binding / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Jiang, X. / Yuan, P.T. | ||||||
![]() | ![]() Title: Discovery of novel Chitinase Inhibitors with a scaffold of dipyridopyrimidine-3-carboxamide via Structure-based Rational Design Authors: Jiang, X. / Yuan, P.T. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 269.2 KB | Display | ![]() |
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PDB format | ![]() | 173.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 7c92C ![]() 4g2zS 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
#1: Protein | Mass: 56847.316 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.38 Å3/Da / Density % sol: 48.42 % |
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Crystal grow | Temperature: 277.15 K / Method: vapor diffusion, hanging drop Details: 50 mM citrate (pH 5.6), 0.5 M Li2SO4 and 0.25M (NH4)2SO4 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jun 17, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.97→50.12 Å / Num. obs: 67805 / % possible obs: 88 % / Redundancy: 9.8 % / Biso Wilson estimate: 23.81 Å2 / Rpim(I) all: 0.044 / Net I/σ(I): 13.98 |
Reflection shell | Resolution: 1.97→2 Å / Num. unique obs: 3271 / CC1/2: 0.884 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4g2z Resolution: 1.98→50.12 Å / SU ML: 0.2159 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 23.8443 / Stereochemistry target values: GeoStd + Monomer Library
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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: 26.92 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.98→50.12 Å
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Refine LS restraints |
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LS refinement shell |
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