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Yorodumi- PDB-6oeb: Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA -
+Open data
-Basic information
Entry | Database: PDB / ID: 6oeb | |||||||||
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Title | Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA | |||||||||
Components |
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Keywords | DNA BINDING PROTEIN/DNA / SRAP Domain / HMCES / Structural Genomics / Structural Genomics Consortium / SGC / DNA binding protein / DNA-protein complex / DNA-damage protein / 3' overhang / DNA BINDING PROTEIN-DNA complex | |||||||||
Function / homology | Function and homology information protein-DNA covalent cross-linking activity / Lyases / DNA-(abasic site) binding / positive regulation of isotype switching / protein-DNA covalent cross-linking repair / Hydrolases; Acting on peptide bonds (peptidases) / double-strand break repair via alternative nonhomologous end joining / somatic hypermutation of immunoglobulin genes / interstrand cross-link repair / replication fork ...protein-DNA covalent cross-linking activity / Lyases / DNA-(abasic site) binding / positive regulation of isotype switching / protein-DNA covalent cross-linking repair / Hydrolases; Acting on peptide bonds (peptidases) / double-strand break repair via alternative nonhomologous end joining / somatic hypermutation of immunoglobulin genes / interstrand cross-link repair / replication fork / peptidase activity / single-stranded DNA binding / DNA damage response / proteolysis Similarity search - Function | |||||||||
Biological species | Homo sapiens (human) synthetic construct (others) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å | |||||||||
Authors | Halabelian, L. / Ravichandran, M. / Li, Y. / Zeng, H. / Bountra, C. / Edwards, A.M. / Arrowsmith, C.H. / Structural Genomics Consortium (SGC) | |||||||||
Citation | Journal: Nat.Struct.Mol.Biol. / Year: 2019 Title: Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition. Authors: Halabelian, L. / Ravichandran, M. / Li, Y. / Zeng, H. / Rao, A. / Aravind, L. / Arrowsmith, C.H. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6oeb.cif.gz | 81.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6oeb.ent.gz | 55.3 KB | Display | PDB format |
PDBx/mmJSON format | 6oeb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6oeb_validation.pdf.gz | 450.3 KB | Display | wwPDB validaton report |
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Full document | 6oeb_full_validation.pdf.gz | 451.1 KB | Display | |
Data in XML | 6oeb_validation.xml.gz | 12.7 KB | Display | |
Data in CIF | 6oeb_validation.cif.gz | 17.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/oe/6oeb ftp://data.pdbj.org/pub/pdb/validation_reports/oe/6oeb | HTTPS FTP |
-Related structure data
Related structure data | 5ko9SC 6oe7C 6oeaC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 31671.617 Da / Num. of mol.: 1 / Fragment: SRAP domain (UNP residues 2-270) Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: HMCES, C3orf37, DC12, SRAPD1 / Production host: Escherichia coli (E. coli) / References: UniProt: Q96FZ2 |
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-DNA chain , 2 types, 2 molecules BC
#2: DNA chain | Mass: 2715.799 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
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#3: DNA chain | Mass: 1840.227 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) |
-Non-polymers , 3 types, 94 molecules
#4: Chemical | ChemComp-EDO / #5: Chemical | ChemComp-UNX / #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3 Å3/Da / Density % sol: 59.05 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 25% PEG3350, 0.2 M ammonium sulfate, 0.1 M HEPES |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | ||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 0.97741 Å | ||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Sep 18, 2018 | ||||||||||||||||||||||||
Radiation | Monochromator: Si(220) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97741 Å / Relative weight: 1 | ||||||||||||||||||||||||
Reflection | Resolution: 2.1→48.38 Å / Num. obs: 24718 / % possible obs: 99.8 % / Redundancy: 4.4 % / CC1/2: 0.997 / Rmerge(I) obs: 0.079 / Rpim(I) all: 0.042 / Rrim(I) all: 0.09 / Net I/σ(I): 10.2 | ||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 5KO9 Resolution: 2.1→48.38 Å / Cor.coef. Fo:Fc: 0.962 / Cor.coef. Fo:Fc free: 0.948 / SU B: 7.839 / SU ML: 0.177 / SU R Cruickshank DPI: 0.1889 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.189 / ESU R Free: 0.164 Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 126.72 Å2 / Biso mean: 46.772 Å2 / Biso min: 29.86 Å2
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Refinement step | Cycle: final / Resolution: 2.1→48.38 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.1→2.154 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
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