[English] 日本語
Yorodumi- PDB-8uje: X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8uje | ||||||
---|---|---|---|---|---|---|---|
Title | X-ray crystal structure of Toxoplasma gondii GalNAc-T3 in complex with UDP-GalNAc, Mn2+, and Muc5AC-3,13 | ||||||
Components | Glycosyl transferaseGlycosyltransferase | ||||||
Keywords | TRANSFERASE / GT-A fold GalNAc Glycosyltransferase / Mucin-type O-glycosylation / Toxoplasma gondii cyst wall glycosylation | ||||||
Function / homology | Function and homology information polypeptide N-acetylgalactosaminyltransferase / polypeptide N-acetylgalactosaminyltransferase activity / carbohydrate binding / Golgi apparatus / membrane Similarity search - Function | ||||||
Biological species | Toxoplasma gondii ME49 (eukaryote) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | ||||||
Authors | Kumar, P. / Samara, N.L. | ||||||
Funding support | United States, 1items
| ||||||
Citation | Journal: Nat Commun / Year: 2024 Title: A Toxoplasma gondii O-glycosyltransferase that modulates bradyzoite cyst wall rigidity is distinct from host homologues. Authors: Kumar, P. / Tomita, T. / Gerken, T.A. / Ballard, C.J. / Lee, Y.S. / Weiss, L.M. / Samara, N.L. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 8uje.cif.gz | 388.6 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb8uje.ent.gz | 266.4 KB | Display | PDB format |
PDBx/mmJSON format | 8uje.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uj/8uje ftp://data.pdbj.org/pub/pdb/validation_reports/uj/8uje | HTTPS FTP |
---|
-Related structure data
Related structure data | 8uhvC 8uhzC 8ui1C 8ui6C 8ujfC 8ujgC 8ujhC C: citing same article (ref.) |
---|---|
Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
| ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 63514.129 Da / Num. of mol.: 1 / Mutation: S297G Source method: isolated from a genetically manipulated source Source: (gene. exp.) Toxoplasma gondii ME49 (eukaryote) / Gene: TGME49_318730 / Plasmid: pPICZ alpha A Details (production host): His Tag (6x), c-Myc Epitope Tag, TEV protease cleavage site Production host: Komagataella pastoris (fungus) / Strain (production host): SMD1168 References: UniProt: A0A125YMZ8, polypeptide N-acetylgalactosaminyltransferase | ||||||
---|---|---|---|---|---|---|---|
#2: Chemical | ChemComp-UDP / | ||||||
#3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
---|
-Sample preparation
Crystal | Density Matthews: 2.63 Å3/Da / Density % sol: 53.21 % |
---|---|
Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 9.5 / Details: 0.1 M CHES pH 9.5 and 14-20% PEG 8000 (w/v) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-BM / Wavelength: 1 Å |
Detector | Type: RAYONIX MX300-HS / Detector: CCD / Date: Apr 1, 2022 / Details: CRL single axis focusing system |
Radiation | Monochromator: FMB OXFORD single crystal side bounce monochromator Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20 Å / Num. obs: 24551 / % possible obs: 99.8 % / Redundancy: 4.9 % / Biso Wilson estimate: 52.87 Å2 / CC1/2: 1 / CC star: 1 / Rmerge(I) obs: 0.147 / Rpim(I) all: 0.072 / Rrim(I) all: 0.164 / Net I/σ(I): 10.3 |
Reflection shell | Resolution: 2.5→2.54 Å / Redundancy: 3.1 % / Rmerge(I) obs: 0.944 / Mean I/σ(I) obs: 1.18 / Num. unique obs: 1164 / CC1/2: 0.43 / CC star: 0.775 / Rpim(I) all: 0.598 / Rrim(I) all: 1.127 / % possible all: 96.1 |
-Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.5→19.91 Å / SU ML: 0.3409 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.0253 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 59.08 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→19.91 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS group | Refine-ID: X-RAY DIFFRACTION / Auth asym-ID: A / Label asym-ID: A
|