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- PDB-8is4: Structure of an Isocytosine specific deaminase Vcz in complexed w... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8is4 | ||||||
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Title | Structure of an Isocytosine specific deaminase Vcz in complexed with 5-FU | ||||||
![]() | Hydroxydechloroatrazine ethylaminohydrolase | ||||||
![]() | HYDROLASE / isocytosine / deaminase / VCZ / 5-FU | ||||||
Function / homology | 8-oxoguanine deaminase activity / Amidohydrolase family / Metal-dependent hydrolase, composite domain superfamily / Amidohydrolase-related / Metal-dependent hydrolase / 5-FLUOROURACIL / Hydroxydechloroatrazine ethylaminohydrolase![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Guo, W.T. / Li, X.J. / Wu, B.X. | ||||||
Funding support | 1items
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![]() | ![]() Title: Structural characterization of an isocytosine-specific deaminase VCZ reveals its application potential in the anti-cancer therapy. Authors: Guo, W. / Li, X. / Fan, J. / Li, H. / Wen, Y. / Meng, C. / Chen, H. / Zhao, Z. / Zhang, Y. / Du, Y. / Wu, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 446.6 KB | Display | ![]() |
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PDB format | ![]() | 303.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.8 MB | Display | ![]() |
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Full document | ![]() | 1.8 MB | Display | |
Data in XML | ![]() | 38.2 KB | Display | |
Data in CIF | ![]() | 56.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7ww2C ![]() 8is5C C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS oper: (Code: givenMatrix: (-0.993624241163, -0.112149118858, -0.0115517319768), (-0.112718522023, 0.986072437462, 0.122293429385), (-0.00232425584038, 0.122815810127, -0.992426760329)Vector: -5. ...NCS oper: (Code: given Matrix: (-0.993624241163, -0.112149118858, -0.0115517319768), Vector: |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 49544.363 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 576 molecules ![](data/chem/img/URF.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/TRS.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/TRS.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-GOL / | #5: Chemical | ChemComp-TRS / | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45.25 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop Details: 0.2 M Lithium sulfate monohydrate, 0.1 M Bis-Tris, pH 6.5, 25% w/v Polyethylene glycol 3,350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Aug 20, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97915 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→50 Å / Num. obs: 71085 / % possible obs: 100 % / Redundancy: 13.1 % / Biso Wilson estimate: 23.14 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.144 / Rpim(I) all: 0.041 / Rrim(I) all: 0.15 / Net I/σ(I): 13.8 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 13.2 % / Rmerge(I) obs: 1.044 / Mean I/σ(I) obs: 2.8 / Num. unique obs: 10243 / CC1/2: 0.822 / Rpim(I) all: 0.298 / Rrim(I) all: 1.086 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.6 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→34.67 Å
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Refine LS restraints |
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Refine LS restraints NCS | Type: Torsion NCS / Rms dev position: 0.667062415366 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: -1.81018594995 Å / Origin y: -15.6613894691 Å / Origin z: -28.3216593537 Å
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Refinement TLS group | Selection details: all |