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Open data
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Basic information
Entry | Database: PDB / ID: 2bxd | ||||||
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Title | Human serum albumin complexed with warfarin | ||||||
![]() | SERUM ALBUMIN | ||||||
![]() | TRANSPORT PROTEIN / ALBUMIN / CARRIER PROTEIN / LIPID-BINDING / METAL-BINDING / DRUG-BINDING / WARFARIN | ||||||
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. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 225.9 KB | Display | ![]() |
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PDB format | ![]() | 179.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1019.8 KB | Display | ![]() |
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Full document | ![]() | 1 MB | Display | |
Data in XML | ![]() | 42.8 KB | Display | |
Data in CIF | ![]() | 57.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2bx8C ![]() 2bxaC ![]() 2bxbC ![]() 2bxcC ![]() 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: (0.4289, 0.9032, 0.017), 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 | 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: 2.44 Å3/Da / Density % sol: 44 % |
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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: ADSC CCD / Detector: CCD / Date: Sep 30, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9236 Å / Relative weight: 1 |
Reflection | Resolution: 3.05→49.3 Å / Num. obs: 23406 / % possible obs: 97.7 % / Observed criterion σ(I): 0 / Redundancy: 1.9 % / Biso Wilson estimate: 75.6 Å2 / Rmerge(I) obs: 0.06 / Net I/σ(I): 8.9 |
Reflection shell | Resolution: 3.05→3.21 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.37 / Mean I/σ(I) obs: 2.3 / % possible all: 97 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1E78 Resolution: 3.05→49.32 Å / Rfactor Rfree error: 0.008 / Data cutoff high absF: 773709.26 / Isotropic thermal model: GROUP / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 57.099 Å2 / ksol: 0.266711 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 73.2 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 3.05→49.32 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 3.05→3.24 Å / Rfactor Rfree error: 0.03 / Total num. of bins used: 6
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Xplor file |
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