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Open data
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Basic information
Entry | Database: PDB / ID: 2bx8 | |||||||||
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Title | Human serum albumin complexed with azapropazone | |||||||||
![]() | SERUM ALBUMIN | |||||||||
![]() | TRANSPORT PROTEIN / ALBUMIN / CARRIER PROTEIN / LIPID-BINDING / FATTY ACID / METAL- BINDING / DRUG-BINDING / AZAPROPAZONE / TRANSPORT | |||||||||
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 | ![]() ![]() ![]() | |||||||||
![]() | Ghuman, J. / Zunszain, P.A. / Petitpas, I. / Bhattacharya, A.A. / Curry, S. | |||||||||
![]() | ![]() Title: Structural Basis of the Drug-Binding Specificity of Human Serum Albumin. Authors: Ghuman, J. / Zunszain, P.A. / Petitpas, I. / Bhattacharya, A.A. / Otagiri, M. / Curry, S. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 227.3 KB | Display | ![]() |
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PDB format | ![]() | 180.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.5 MB | Display | ![]() |
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Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 45.1 KB | Display | |
Data in CIF | ![]() | 60.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2bxaC ![]() 2bxbC ![]() 2bxcC ![]() 2bxdC ![]() 2bxeC ![]() 2bxfC ![]() 2bxgC ![]() 2bxhC ![]() 2bxiC ![]() 2bxkC ![]() 2bxlC ![]() 2bxmC ![]() 2bxnC ![]() 2bxoC ![]() 2bxpC ![]() 2bxqC ![]() 1e78S 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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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (0.4369, 0.8991, 0.0258), 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-AZQ / Sequence details | SEQUENCE IS FOR PRE-CURSOR. MATURE POLYPEPTIDE WAS CRYSTALLISED (WHICH LACKS SIGNAL AND PROPEPTIDES ...SEQUENCE IS FOR PRE-CURSOR. MATURE POLYPEPTID | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.39 Å3/Da / Density % sol: 42 % |
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Crystal grow | pH: 7 / Details: pH 7.00 |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Feb 15, 2004 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.81 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→41.5 Å / Num. obs: 32332 / % possible obs: 95.6 % / Observed criterion σ(I): 0 / Redundancy: 2 % / Biso Wilson estimate: 54.1 Å2 / Rmerge(I) obs: 0.04 / Net I/σ(I): 12.2 |
Reflection shell | Resolution: 2.7→2.85 Å / Redundancy: 2 % / Rmerge(I) obs: 0.3 / Mean I/σ(I) obs: 2.9 / % possible all: 95.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1E78 Resolution: 2.7→41.45 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 1038934.58 / Isotropic thermal model: GROUP / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: MLF Details: AZP AND AZQ IN THE TOPOLOGY THE DRUG AZAPROPAZONE BUT REFER TO THE DIFFERENT PUCKERS OF THE FUSED RING SYSTEM. AZQ.TOP AND AZQ.PAR WERE USED FOR A2001, WHILE AZP.TOP AND AZP.PAR WERE USED FOR A2002
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 52.304 Å2 / ksol: 0.277814 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 77.9 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.7→41.45 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.7→2.87 Å / Rfactor Rfree error: 0.023 / Total num. of bins used: 6
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Xplor file |
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