+Open data
-Basic information
Entry | Database: PDB / ID: 6ffq | |||||||||
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Title | Solution NMR structure of CBM64 from S.thermophila | |||||||||
Components | Glycosyl hydrolase family 5 cellulase CBM64 | |||||||||
Keywords | SUGAR BINDING PROTEIN / CBM64 | |||||||||
Function / homology | Function and homology information cellulase / metabolic process / hydrolase activity, hydrolyzing O-glycosyl compounds Similarity search - Function | |||||||||
Biological species | Spirochaeta thermophila (bacteria) | |||||||||
Method | SOLUTION NMR / simulated annealing | |||||||||
Authors | Heikkinen, H.A. / Iwai, H. | |||||||||
Funding support | Finland, 2items
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Citation | Journal: Molecules / Year: 2021 Title: NMR Structure Determinations of Small Proteins Using only One Fractionally 20% 13 C- and Uniformly 100% 15 N-Labeled Sample. Authors: Heikkinen, H.A. / Backlund, S.M. / Iwai, H. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6ffq.cif.gz | 512.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6ffq.ent.gz | 437.7 KB | Display | PDB format |
PDBx/mmJSON format | 6ffq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6ffq_validation.pdf.gz | 470.5 KB | Display | wwPDB validaton report |
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Full document | 6ffq_full_validation.pdf.gz | 598.2 KB | Display | |
Data in XML | 6ffq_validation.xml.gz | 30.9 KB | Display | |
Data in CIF | 6ffq_validation.cif.gz | 52.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ff/6ffq ftp://data.pdbj.org/pub/pdb/validation_reports/ff/6ffq | HTTPS FTP |
-Related structure data
Related structure data | 6ffuC 6sowC C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 10025.756 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: C-terminal 86-residue module of CBM64 from S.thermophila, UNP residues 456-541 Source: (gene. exp.) Spirochaeta thermophila (bacteria) / Gene: STHERM_c20620 / Production host: Escherichia coli (E. coli) / References: UniProt: E0RQU0 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution Contents: 6.4 mg/mL [U-13C; U-15N] CBM64_100, 95% H2O/5% D2O Details: NMR sample / Label: 100%-13C and 15N / Solvent system: 95% H2O/5% D2O |
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Sample | Conc.: 6.4 mg/mL / Component: CBM64_100 / Isotopic labeling: [U-13C; U-15N] |
Sample conditions | Ionic strength: 20 mM / Label: condition_100% / pH: 6.0 / Pressure: 1 bar / Temperature: 303 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 850 MHz / Details: HD |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 3 | ||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: all calculated structures submitted Conformers calculated total number: 20 / Conformers submitted total number: 20 |