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- PDB-1zfl: Solution structure of III-A, the major intermediate in the oxidat... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1zfl | ||||||
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Title | Solution structure of III-A, the major intermediate in the oxidative folding of leech carboxypeptidase inhibitor | ||||||
![]() | Metallocarboxypeptidase inhibitor | ||||||
![]() | HYDROLASE INHIBITOR / carboxypeptidase inhibitor / folding intermediate / oxidative folding / four-stranded antiparallel beta-sheet | ||||||
Function / homology | Carboxypeptidase inhibitor / Proteinase inhibitor I46, leech metallocarboxypeptidase inhibitor / Carboxypeptidase Inhibitor; Chain A / peptidase inhibitor activity / 2-Layer Sandwich / Alpha Beta / Metallocarboxypeptidase inhibitor![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Arolas, J.L. / D'Silva, L. / Popowicz, G.M. / Aviles, F.X. / Holak, T.A. / Ventura, S. | ||||||
![]() | ![]() Title: NMR structural characterization and computational predictions of the major intermediate in oxidative folding of leech carboxypeptidase inhibitor Authors: Arolas, J.L. / D'Silva, L. / Popowicz, G.M. / Aviles, F.X. / Holak, T.A. / Ventura, S. #1: ![]() Title: Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2 Authors: Reverter, D. / Fernandez-Catalan, C. / Baumgartner, R. / Pfander, R. / Huber, R. / Bode, W. / Vendrell, J. / Holak, T.A. / Aviles, F.X. #2: Journal: J.Biol.Chem. / Year: 2004 Title: Role of kinetic intermediates in the folding of leech carboxypeptidase inhibitor Authors: Arolas, J.L. / Bronsoms, S. / Lorenzo, J. / Aviles, F.X. / Chang, J.Y. / Ventura, 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 | ![]() | 381.9 KB | Display | ![]() |
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PDB format | ![]() | 328.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 340.9 KB | Display | ![]() |
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Full document | ![]() | 521.5 KB | Display | |
Data in XML | ![]() | 34.2 KB | Display | |
Data in CIF | ![]() | 52.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 7397.256 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: The III-A intermediate, containing three native disulfide bonds, has been directly isolated from the oxidative folding reaction of the leech carboxypeptidase inhibitor (LCI; four disulfide bonds) Source: (gene. exp.) ![]() ![]() ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: amide proton exchange experiments were carried out |
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Sample preparation
Details |
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Sample conditions | Ionic strength: 20mM phosphate buffer / pH: 3.5 / Pressure: ambient / Temperature: 300 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 40 / Conformers submitted total number: 20 |