+Open data
-Basic information
Entry | Database: PDB / ID: 8ell | ||||||
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Title | Apo human biliverdin reductase beta (cryogenic) | ||||||
Components | Flavin reductase (NADPH) | ||||||
Keywords | OXIDOREDUCTASE / Apo / cryogenic | ||||||
Function / homology | Function and homology information biliberdin reductase (NAD+) activity / biliverdin reductase (NADP+) activity / biliverdin reductase [NAD(P)+] activity / flavin reductase (NADPH) / Oxidoreductases; Acting on the CH-CH group of donors; With NAD+ or NADP+ as acceptor / Transferases; Transferring nitrogenous groups; Transferring other nitrogenous groups / peptidyl-cysteine S-nitrosylase activity / megakaryocyte differentiation / riboflavin reductase (NADPH) activity / heme catabolic process ...biliberdin reductase (NAD+) activity / biliverdin reductase (NADP+) activity / biliverdin reductase [NAD(P)+] activity / flavin reductase (NADPH) / Oxidoreductases; Acting on the CH-CH group of donors; With NAD+ or NADP+ as acceptor / Transferases; Transferring nitrogenous groups; Transferring other nitrogenous groups / peptidyl-cysteine S-nitrosylase activity / megakaryocyte differentiation / riboflavin reductase (NADPH) activity / heme catabolic process / Heme degradation / negative regulation of insulin receptor signaling pathway / Cytoprotection by HMOX1 / intracellular membrane-bounded organelle / extracellular exosome / nucleoplasm / plasma membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.52 Å | ||||||
Authors | McLeod, M.J. / Eisenmesser, E.Z. / Lee, E. / Thorne, R.E. | ||||||
Funding support | United States, 1items
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Citation | Journal: Front Mol Biosci / Year: 2023 Title: Identifying structural and dynamic changes during the Biliverdin Reductase B catalytic cycle. Authors: Lee, E. / McLeod, M.J. / Redzic, J.S. / Marcolin, B. / Thorne, R.E. / Agarwal, P. / Eisenmesser, E.Z. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8ell.cif.gz | 126 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8ell.ent.gz | 79.4 KB | Display | PDB format |
PDBx/mmJSON format | 8ell.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8ell_validation.pdf.gz | 422.6 KB | Display | wwPDB validaton report |
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Full document | 8ell_full_validation.pdf.gz | 423.3 KB | Display | |
Data in XML | 8ell_validation.xml.gz | 13 KB | Display | |
Data in CIF | 8ell_validation.cif.gz | 19.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/el/8ell ftp://data.pdbj.org/pub/pdb/validation_reports/el/8ell | HTTPS FTP |
-Related structure data
Related structure data | 8elmC 6oplS 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
#1: Protein | Mass: 22148.350 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: BLVRB, FLR / Production host: Escherichia coli (E. coli) References: UniProt: P30043, flavin reductase (NADPH), biliverdin reductase | ||||
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#2: Chemical | #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.27 Å3/Da / Density % sol: 45.73 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 0.1M MES pH 6.5, 1-4% PEG 20000. Equilibrated over 0.25-0.5 M NaCl. BLVRB 18 mg/mL. |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: CHESS / Beamline: 7B2 / Wavelength: 1.1271 Å |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Mar 7, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.1271 Å / Relative weight: 1 |
Reflection | Resolution: 1.52→52.1 Å / Num. obs: 31069 / % possible obs: 97.8 % / Redundancy: 12.5 % / Biso Wilson estimate: 14.34 Å2 / CC1/2: 0.999 / CC star: 1 / Rmerge(I) obs: 0.115 / Rpim(I) all: 0.034 / Rrim(I) all: 0.12 / Net I/σ(I): 12 |
Reflection shell | Resolution: 1.52→1.57 Å / Redundancy: 10.1 % / Rmerge(I) obs: 1.027 / Mean I/σ(I) obs: 1.4 / Num. unique obs: 2891 / CC1/2: 0.743 / CC star: 0.923 / Rpim(I) all: 0.338 / Rrim(I) all: 1.085 / % possible all: 92.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6OPL Resolution: 1.52→52.1 Å / SU ML: 0.175 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 17.8394 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: 18.6 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.52→52.1 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group | Refine-ID: X-RAY DIFFRACTION / Auth asym-ID: A / Label asym-ID: A
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