+Open data
-Basic information
Entry | Database: PDB / ID: 6myq | |||||||||
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Title | Avian mitochondrial complex II with ferulenol bound | |||||||||
Components |
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Keywords | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / Complex II / membrane protein / heme protein / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex | |||||||||
Function / homology | Function and homology information Citric acid cycle (TCA cycle) / The tricarboxylic acid cycle / succinate metabolic process / succinate dehydrogenase activity / TIM22 mitochondrial import inner membrane insertion complex / : / mitochondrial electron transport, succinate to ubiquinone / succinate dehydrogenase / succinate dehydrogenase (quinone) activity / protein insertion into mitochondrial inner membrane ...Citric acid cycle (TCA cycle) / The tricarboxylic acid cycle / succinate metabolic process / succinate dehydrogenase activity / TIM22 mitochondrial import inner membrane insertion complex / : / mitochondrial electron transport, succinate to ubiquinone / succinate dehydrogenase / succinate dehydrogenase (quinone) activity / protein insertion into mitochondrial inner membrane / oxidoreductase activity, acting on the CH-CH group of donors / anaerobic respiration / 3 iron, 4 sulfur cluster binding / protein transmembrane transporter activity / ubiquinone binding / tricarboxylic acid cycle / aerobic respiration / respiratory electron transport chain / mitochondrial membrane / 2 iron, 2 sulfur cluster binding / flavin adenine dinucleotide binding / 4 iron, 4 sulfur cluster binding / mitochondrial inner membrane / electron transfer activity / heme binding / metal ion binding / plasma membrane Similarity search - Function | |||||||||
Biological species | Gallus gallus (chicken) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.97 Å | |||||||||
Authors | Berry, E.A. / Huang, L.-S. | |||||||||
Funding support | United States, 1items
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Citation | Journal: Biochim Biophys Acta Proteins Proteom / Year: 2021 Title: Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors. Authors: Huang, L.S. / Lummen, P. / Berry, E.A. #1: Journal: J. Biol. Chem. / Year: 2006 Title: 3-nitropropionic acid is a suicide inhibitor of mitochondrial respiration that, upon oxidation by complex II, forms a covalent adduct with a catalytic base arginine in the active site of the enzyme. Authors: Huang, L.S. / Sun, G. / Cobessi, D. / Wang, A.C. / Shen, J.T. / Tung, E.Y. / Anderson, V.E. / Berry, E.A. #2: Journal: Biochim. Biophys. Acta / Year: 2006 Title: Crystallographic studies of the binding of ligands to the dicarboxylate site of Complex II, and the identity of the ligand in the "oxaloacetate-inhibited" state. Authors: Huang, L.S. / Shen, J.T. / Wang, A.C. / Berry, E.A. #3: Journal: Acta Crystallogr. D Biol. Crystallogr. / Year: 2005 Title: Crystallization of mitochondrial respiratory complex II from chicken heart: a membrane-protein complex diffracting to 2.0 A. Authors: Huang, L.S. / Borders, T.M. / Shen, J.T. / Wang, C.J. / Berry, E.A. #4: Journal: Cell / Year: 2005 Title: Crystal structure of mitochondrial respiratory membrane protein complex II. Authors: Sun, F. / Huo, X. / Zhai, Y. / Wang, A. / Xu, J. / Su, D. / Bartlam, M. / Rao, Z. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6myq.cif.gz | 586.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6myq.ent.gz | 396.1 KB | Display | PDB format |
PDBx/mmJSON format | 6myq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6myq_validation.pdf.gz | 2.1 MB | Display | wwPDB validaton report |
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Full document | 6myq_full_validation.pdf.gz | 2.1 MB | Display | |
Data in XML | 6myq_validation.xml.gz | 49.3 KB | Display | |
Data in CIF | 6myq_validation.cif.gz | 69 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/my/6myq ftp://data.pdbj.org/pub/pdb/validation_reports/my/6myq | HTTPS FTP |
-Related structure data
Related structure data | 6myoC 6mypC 6myrC 6mysC 6mytC 6myuC 1yq3S S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Succinate dehydrogenase [ubiquinone] ... , 3 types, 3 molecules ABD
#1: Protein | Mass: 68256.922 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Gallus gallus (chicken) / Organ: heart References: UniProt: F1NPJ4, UniProt: Q9YHT1*PLUS, succinate dehydrogenase |
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#2: Protein | Mass: 28685.221 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Gallus gallus (chicken) / Organ: heart / References: UniProt: Q9YHT2, succinate dehydrogenase |
#4: Protein | Mass: 10971.604 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Gallus gallus (chicken) / Organ: heart / References: UniProt: Q5ZIS0 |
-Protein , 1 types, 1 molecules C
#3: Protein | Mass: 15391.153 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Gallus gallus (chicken) / Organ: heart References: UniProt: D0VWW3, UniProt: A0A3Q2U2Y6*PLUS, succinate dehydrogenase |
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-Non-polymers , 14 types, 542 molecules
#5: Chemical | ChemComp-FAD / | ||||||||||||||||||||||
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#6: Chemical | ChemComp-Y3P / (~{ | ||||||||||||||||||||||
#7: Chemical | #8: Chemical | ChemComp-UNL / Mass: 175.820 Da / Num. of mol.: 65 / Source method: obtained synthetically #9: Chemical | ChemComp-PEG / | #10: Chemical | ChemComp-MOH / | #11: Chemical | ChemComp-FES / | #12: Chemical | ChemComp-SF4 / | #13: Chemical | ChemComp-F3S / | #14: Chemical | ChemComp-HEM / | #15: Chemical | ChemComp-9AU / | #16: Chemical | ChemComp-UMQ / | #17: Chemical | ChemComp-3PE / | #18: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.48 Å3/Da / Density % sol: 64.68 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: 47 g/L PEG3350, 30 mL/L PEG400, 23 mL/L isopropanol, 0.05 M HEPES sodium, 0.01 M Tris-HCl, 3.1 mM manganese chloride, 0.62 mM magnesium chloride, 1.5 mM sodium azide, 0.25 mM sodium EDTA, 10 ...Details: 47 g/L PEG3350, 30 mL/L PEG400, 23 mL/L isopropanol, 0.05 M HEPES sodium, 0.01 M Tris-HCl, 3.1 mM manganese chloride, 0.62 mM magnesium chloride, 1.5 mM sodium azide, 0.25 mM sodium EDTA, 10 g/L octyl beta-D-glucoside, undecyl-beta-D-maltoside, crystal was soaked with ferulenol after crystallization |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 31, 2007 |
Radiation | Monochromator: liquid nitrogen-cooled dual crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.97→29.62 Å / Num. obs: 115414 / % possible obs: 94.1 % / Observed criterion σ(I): -3 / Redundancy: 3.22 % / Biso Wilson estimate: 38.62 Å2 / Rmerge(I) obs: 0.085 / Net I/σ(I): 5.7 |
Reflection shell | Resolution: 1.97→2.03 Å / Redundancy: 2.04 % / Rmerge(I) obs: 0.905 / Mean I/σ(I) obs: 0.9 / Num. unique obs: 7077 / CC1/2: 0.629 / Rpim(I) all: 0.71 / Rrim(I) all: 1.159 / % possible all: 70.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1YQ3 Resolution: 1.97→29.62 Å / SU ML: 0.2463 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 29.9204 / Stereochemistry target values: CDL v1.2
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Solvent computation | Shrinkage radii: 1 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 51.83 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.97→29.62 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 19.9475023069 Å / Origin y: 19.3436283038 Å / Origin z: 110.270036325 Å
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Refinement TLS group | Selection details: all |