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- PDB-1cwk: HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1cwk | ||||||
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Title | HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D-(2-S-METHYL)SARCOSINE CYCLOSPORIN | ||||||
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![]() | ISOMERASE/IMMUNOSUPPRESSANT / ISOMERASE-IMMUNOSUPPRESSANT COMPLEX / CYCLOPHILIN-CYCLOSPORIN COMPLEX / CYCLOSPORIN D / ![]() ![]() | ||||||
Function / homology | ![]() negative regulation of protein K48-linked ubiquitination / negative regulation of viral life cycle / regulation of apoptotic signaling pathway / cell adhesion molecule production / lipid droplet organization / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Mikol, V. / Kallen, J. / Taylor, P. / Walkinshaw, M.D. | ||||||
![]() | ![]() Title: X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. Authors: Kallen, J. / Mikol, V. / Taylor, P. / Walkinshaw, M.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 48 KB | Display | ![]() |
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PDB format | ![]() | 36.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1bckC ![]() 1cwfSC ![]() 1cwhC ![]() 1cwiC ![]() 1cwjC ![]() 1cwlC ![]() 1cwmC C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 18036.504 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() References: UniProt: P05092, UniProt: P62937*PLUS, ![]() |
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#2: Protein/peptide | ![]() ![]() ![]() Details: (2-S-METHYL) SARCOSINE AT POSITION 7,(6,7-DIHYDRO)4-[(E)-BUTENYL]-4, N-DIMETHYL-THREONINE AT POSITION 5, CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. CYCLIZATION IS ACHIEVED BY LINKING THE N- AND ...Details: (2-S-METHYL) SARCOSINE AT POSITION 7,(6,7-DIHYDRO)4-[(E)-BUTENYL]-4, N-DIMETHYL-THREONINE AT POSITION 5, CYCLOSPORIN IS A CYCLIC UNDECAPEPTIDE. CYCLIZATION IS ACHIEVED BY LINKING THE N- AND THE C- TERMINI. CYCLOSPORIN D IS A NATURAL ANALOG OF CYCLOSPORIN A, OBTAINED IN DIFFERENT NUTRIENT BROTH AND DIFFERS FROM CYCLOSPORIN IN RESIDUE 6 (ABA6VAL). THE CYCLOSPORIN D MOLECULE WAS MODIFIED AT POSITIONS 5 AND 7 TO BE (6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIMETHYL-THREONINE AND (2-S-METHYL)-SARCOSINE, RESPECTIVELY. Source: (synth.) ![]() ![]() ![]() |
#3: Water | ChemComp-HOH / ![]() |
Compound details | CYCLOSPORI |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.19 Å3/Da / Density % sol: 41 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow![]() | pH: 8 / Details: PH 8.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 295 K / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ![]() |
Detector | Type: ENRAF-NONIUS / Detector: AREA DETECTOR / Date: Jun 1, 1993 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Highest resolution: 1.8 Å / Num. obs: 14288 / % possible obs: 92.3 % / Observed criterion σ(I): 2 / Redundancy: 3.2 % / Rsym value: 0.058 |
Reflection | *PLUS Num. measured all: 45753 / Rmerge(I) obs: 0.058 |
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Processing
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Refinement | Method to determine structure![]() Starting model: PDB ENTRY 1CWF Resolution: 1.8→8 Å / Data cutoff high absF: 30000 / Data cutoff low absF: 0.1 / σ(F): 2
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Displacement parameters | Biso mean: 18.87 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→8 Å
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Refine LS restraints |
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Xplor file |
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