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- PDB-1e7b: Crystal structure of human serum albumin complexed with the gener... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1e7b | ||||||
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Title | Crystal structure of human serum albumin complexed with the general anesthetic halothane | ||||||
![]() | SERUM ALBUMIN | ||||||
![]() | CARRIER PROTEIN / ALBUMIN / GENERAL ANESTHETIC / HALOTHANE | ||||||
Function / homology | ![]() cellular response to calcium ion starvation / exogenous protein binding / Ciprofloxacin ADME / enterobactin binding / Heme biosynthesis / HDL remodeling / negative regulation of mitochondrial depolarization / Prednisone ADME / Heme degradation / Aspirin ADME ...cellular response to calcium ion starvation / exogenous protein binding / Ciprofloxacin ADME / enterobactin binding / Heme biosynthesis / HDL remodeling / negative regulation of mitochondrial depolarization / Prednisone ADME / Heme degradation / Aspirin ADME / antioxidant activity / toxic substance binding / small molecule binding / Scavenging of heme from plasma / Recycling of bile acids and salts / cellular response to starvation / platelet alpha granule lumen / fatty acid binding / Post-translational protein phosphorylation / Cytoprotection by HMOX1 / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / pyridoxal phosphate binding / Platelet degranulation / protein-folding chaperone binding / blood microparticle / copper ion binding / endoplasmic reticulum lumen / Golgi apparatus / endoplasmic reticulum / protein-containing complex / DNA binding / extracellular space / extracellular exosome / extracellular region / identical protein binding / nucleus / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Bhattacharya, A.A. / Curry, S. / Franks, N.P. | ||||||
![]() | ![]() Title: Binding of the General Anesthetics Propofol and Halothane to Human Serum Albumin. High Resolution Crystal Structures Authors: Bhattacharya, A.A. / Curry, S. / Franks, N.P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 227.4 KB | Display | ![]() |
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PDB format | ![]() | 179.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 405.2 KB | Display | ![]() |
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Full document | ![]() | 447.2 KB | Display | |
Data in XML | ![]() | 35.7 KB | Display | |
Data in CIF | ![]() | 53 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1e78C ![]() 1e7aC ![]() 1e7cC ![]() 1ao6S S: Starting model for refinement 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.4415, 0.8968, 0.0291), Vector: |
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Components
#1: Protein | Mass: 66571.219 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-HLT / #3: Water | ChemComp-HOH / | Compound details | SERUM ALBUMIN, REGULATES THE COLLOIDAL OSMOTIC PRESSURE OF BLOOD IT BINDS TO WATER, CA++, NA+, K+, ...SERUM ALBUMIN, REGULATES THE COLLOIDAL OSMOTIC PRESSURE OF BLOOD IT BINDS TO WATER, CA++, NA+, K+, FATTY ACIDS, HORMONES, BILIRUBIN AND DRUGS | Sequence details | RESIDUES 1-24 IN P02768 ENTRY ARE SIGNAL SEQUENCE. RESIDUE 1 IN STRUCTURE COORDINATES IS EQUIVALENT ...RESIDUES 1-24 IN P02768 ENTRY ARE SIGNAL SEQUENCE. RESIDUE 1 IN STRUCTURE COORDINATE | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.42 Å3/Da / Density % sol: 49.27 % | |||||||||||||||
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Crystal grow | pH: 7 / Details: pH 7.00 | |||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, sitting drop | |||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jul 15, 1999 / Details: MIRRORS |
Radiation | Monochromator: GE(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.909 Å / Relative weight: 1 |
Reflection | Resolution: 2.38→14.97 Å / Num. obs: 48001 / % possible obs: 95.7 % / Observed criterion σ(I): 0 / Redundancy: 1.9 % / Biso Wilson estimate: 39.3 Å2 / Rmerge(I) obs: 0.049 / Rsym value: 0.049 / Net I/σ(I): 8.1 |
Reflection shell | Resolution: 2.38→2.51 Å / Redundancy: 1.8 % / Rmerge(I) obs: 0.267 / Mean I/σ(I) obs: 2.2 / Rsym value: 0.267 / % possible all: 87.7 |
Reflection shell | *PLUS % possible obs: 87.7 % |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: 1AO6 Resolution: 2.38→17 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 10000000 / Data cutoff low absF: 0.001 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 Details: BULK SOLVENT MODEL USED REFINEMENT WAS PERFORMED WITH MAX ALLOWABLE TEMPERATURE FACTOR OF 150
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Displacement parameters | Biso mean: 76.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.38→17 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.38→2.49 Å / Rfactor Rfree error: 0.026 / Total num. of bins used: 8
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.27 / Rfactor Rwork: 0.27 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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