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Open data
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Basic information
Entry | Database: PDB / ID: 6kg9 | |||||||||
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Title | Solution structure of CaDoc0917 from Clostridium acetobutylicum | |||||||||
![]() | And cellulose-binding endoglucanase family 9 CelL ortholog dockerin domain | |||||||||
![]() | HYDROLASE / dockerin / cellulosome / calcium-binding | |||||||||
Function / homology | ![]() polysaccharide catabolic process / hydrolase activity, hydrolyzing O-glycosyl compounds / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | SOLUTION NMR / simulated annealing | |||||||||
![]() | Feng, Y. / Yao, X. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Discovery and mechanism of a pH-dependent dual-binding-site switch in the interaction of a pair of protein modules. Authors: Yao, X. / Chen, C. / Wang, Y. / Dong, S. / Liu, Y.J. / Li, Y. / Cui, Z. / Gong, W. / Perrett, S. / Yao, L. / Lamed, R. / Bayer, E.A. / Cui, Q. / Feng, Y. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 386.9 KB | Display | ![]() |
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PDB format | ![]() | 321 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6kg8C ![]() 6kgcC ![]() 6kgdC ![]() 6kgeC ![]() 6kgfC 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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NMR ensembles |
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Components
#1: Protein | Mass: 7029.840 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 824 / Gene: CA_C0917 / Plasmid: pET28aNS / Production host: ![]() ![]() | ||
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#2: Chemical | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Type: solution Contents: 0.6 mM [U-13C; U-15N] CaDoc0917, 20 mM sodium acetate, 100 mM potassium chloride, 1 mM CaCl2, 0.01 % w/v sodium azide, 0.05 % w/v DSS, 90% H2O/10% D2O Label: sample1 / Solvent system: 90% H2O/10% D2O | ||||||||||||||||||||||||||||
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Sample |
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Sample conditions | Ionic strength: 120 mM / Label: condition1 / pH: 4.8 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |