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Open data
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Basic information
Entry | Database: PDB / ID: 1b1g | ||||||
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Title | SOLVATED REFINEMENT OF CA-LOADED CALBINDIN D9K | ||||||
![]() | PROTEIN (CALBINDIN D9K) | ||||||
![]() | METAL BINDING PROTEIN / CALCIUM-BINDING PROTEIN | ||||||
Function / homology | ![]() vitamin D binding / calcium-dependent protein binding / collagen-containing extracellular matrix / calcium ion binding / extracellular space / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLUTION NMR / DISTANCE GEOMETRY, RESTRAINED MD WITH EXPLICIT SOLVENT | ||||||
![]() | Kordel, J. / Pearlman, D.A. / Chazin, W.J. | ||||||
![]() | ![]() Title: Protein solution structure calculations in solution: solvated molecular dynamics refinement of calbindin D9k. Authors: Kordel, J. / Pearlman, D.A. / Chazin, W.J. #1: ![]() Title: High-Resolution Solution Structure of Calcium-Loaded Calbindin D9k Authors: Kordel, J. / Skelton, N.J. / Akke, M. / Chazin, W.J. #2: ![]() Title: The Rate and Structural Consequences of Proline Cis-Trans Isomerization in Calbindin D9k: NMR Studies of the Minor (Cis-Pro43) Isoform and the Pro43Gly Mutant Authors: Kordel, J. / Forsen, S. / Drakenberg, T. / Chazin, W.J. #3: ![]() Title: 1H NMR Sequential Resonance Assignments, Secondary Structure, and Global Fold in Solution of the Major (Trans-Pro43) Form of Bovine Calbindin D9k Authors: Kordel, J. / Forsen, S. / Chazin, W.J. #4: ![]() Title: The Refined Structure of Vitamin D-Dependent Calcium-Binding Protein from Bovine Intestine. Molecular Details, Ion Binding, and Implications for the Structure of Other Calcium-Binding Proteins Authors: Szebenyi, D.M.E. / Moffat, K. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 236.5 KB | Display | ![]() |
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PDB format | ![]() | 196 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 360.2 KB | Display | ![]() |
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Full document | ![]() | 415.4 KB | Display | |
Data in XML | ![]() | 12.3 KB | Display | |
Data in CIF | ![]() | 20.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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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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NMR ensembles |
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Components
#1: Protein | Mass: 8470.492 Da / Num. of mol.: 1 / Mutation: P43G Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR details | Text: AUTHOR USED THE NMR DATA FROM ENTRY 2BCB. |
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Sample preparation
Crystal grow | *PLUS Method: other / Details: NMR |
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Processing
NMR software |
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Refinement | Method: DISTANCE GEOMETRY, RESTRAINED MD WITH EXPLICIT SOLVENT Software ordinal: 1 Details: PREVIOUSLY CALCULATED DISGEO STRUCTURES WERE PLACED IN A BATH OF WATER MOLECULES AND CALCIUM IONS WERE ADDED IN THE BINDING SITES. THE SYSTEM WAS ENERGY MINIMIZED TO REMOVE BAD CONTACTS, ...Details: PREVIOUSLY CALCULATED DISGEO STRUCTURES WERE PLACED IN A BATH OF WATER MOLECULES AND CALCIUM IONS WERE ADDED IN THE BINDING SITES. THE SYSTEM WAS ENERGY MINIMIZED TO REMOVE BAD CONTACTS, THEN ANNEALED AT 300 K. DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | ||||||||||||
NMR ensemble | Conformer selection criteria: ALL CONFORMERS USED / Conformers calculated total number: 10 / Conformers submitted total number: 10 |