+Open data
-Basic information
Entry | Database: PDB / ID: 8fdn | ||||||
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Title | Human Hemoglobin with N-tertbutylhydroxylamine | ||||||
Components | (Hemoglobin subunit ...) x 2 | ||||||
Keywords | OXYGEN TRANSPORT / hemoglobin | ||||||
Function / homology | Function and homology information nitric oxide transport / hemoglobin alpha binding / cellular oxidant detoxification / hemoglobin binding / haptoglobin-hemoglobin complex / organic acid binding / renal absorption / hemoglobin complex / oxygen transport / Scavenging of heme from plasma ...nitric oxide transport / hemoglobin alpha binding / cellular oxidant detoxification / hemoglobin binding / haptoglobin-hemoglobin complex / organic acid binding / renal absorption / hemoglobin complex / oxygen transport / Scavenging of heme from plasma / endocytic vesicle lumen / blood vessel diameter maintenance / platelet aggregation / hydrogen peroxide catabolic process / oxygen carrier activity / Late endosomal microautophagy / Heme signaling / carbon dioxide transport / Erythrocytes take up oxygen and release carbon dioxide / Erythrocytes take up carbon dioxide and release oxygen / response to hydrogen peroxide / Cytoprotection by HMOX1 / oxygen binding / regulation of blood pressure / Chaperone Mediated Autophagy / positive regulation of nitric oxide biosynthetic process / tertiary granule lumen / Factors involved in megakaryocyte development and platelet production / ficolin-1-rich granule lumen / blood microparticle / iron ion binding / heme binding / Neutrophil degranulation / extracellular space / extracellular exosome / extracellular region / membrane / metal ion binding / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Powell, S.M. / Richter-Addo, G.B. / Thomas, L.M. | ||||||
Funding support | United States, 1items
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Citation | Journal: J.Inorg.Biochem. / Year: 2023 Title: Crystal structural investigations of heme protein derivatives resulting from reactions of aryl- and alkylhydroxylamines with human hemoglobin. Authors: Powell, S.M. / Wang, B. / Herrera, V.E. / Prather, K.Y. / Nguyen, N.T. / Abucayon, E.G. / Thomas, L.M. / Safo, M.K. / Richter-Addo, G.B. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8fdn.cif.gz | 272.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8fdn.ent.gz | 182.8 KB | Display | PDB format |
PDBx/mmJSON format | 8fdn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8fdn_validation.pdf.gz | 2.4 MB | Display | wwPDB validaton report |
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Full document | 8fdn_full_validation.pdf.gz | 2.4 MB | Display | |
Data in XML | 8fdn_validation.xml.gz | 26.9 KB | Display | |
Data in CIF | 8fdn_validation.cif.gz | 35 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fd/8fdn ftp://data.pdbj.org/pub/pdb/validation_reports/fd/8fdn | HTTPS FTP |
-Related structure data
Related structure data | 8fdjC 8fdkC 8fdlC 8fdmC 3p5qS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Hemoglobin subunit ... , 2 types, 4 molecules ACBD
#1: Protein | Mass: 15150.353 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / References: UniProt: P69905 #2: Protein | Mass: 15890.198 Da / Num. of mol.: 2 / Fragment: Hb_alpha / Source method: isolated from a natural source / Source: (natural) Homo sapiens (human) / References: UniProt: P68871 |
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-Non-polymers , 4 types, 109 molecules
#3: Chemical | ChemComp-GOL / #4: Chemical | ChemComp-HEM / #5: Chemical | ChemComp-XQZ / #6: Water | ChemComp-HOH / | |
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-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: 2.19 Å3/Da / Density % sol: 43.8 % |
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Crystal grow | Temperature: 298 K / Method: batch mode / Details: 3.2 M sodium/potassium phosphate / PH range: 6.3-6.81 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-002 / Wavelength: 1.5418 Å |
Detector | Type: DECTRIS PILATUS 300K / Detector: PIXEL / Date: Dec 12, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→37.67 Å / Num. obs: 26841 / % possible obs: 98.21 % / Redundancy: 1.8 % / Biso Wilson estimate: 42.81 Å2 / CC1/2: 0.988 / Net I/σ(I): 12.46 |
Reflection shell | Resolution: 2.2→2.28 Å / Num. unique obs: 2518 / CC1/2: 0.289 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 3P5Q Resolution: 2.2→37.66 Å / SU ML: 0.4522 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 38.9217 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 54.12 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→37.66 Å
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Refine LS restraints |
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LS refinement shell |
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