Dataset for dynamics and conformational changes in human NEIL2 protein analyzed by integrative structural biology approach.
Data Brief
; 40: 107760, 2022 Feb.
Article
in En
| MEDLINE
| ID: mdl-35005149
ABSTRACT
This work presents new data on human endonuclease VIII-like 2 protein (hNEIL2), a part of DNA glycosylases of the helix-two-turn-helix structural superfamily. While X-ray structure of oNEIL2 (opossum Monodelphis) was resolved partially [1], the structure of hNEIL2 has not yet been determined. This data article describes a powerful combination of hydrogen-deuterium exchange mass spectrometry, homology modeling, and molecular dynamics simulations for protein conformational dynamics analysis. The data supplied in this work are related to the research article entitled "Dynamics and Conformational Changes in Human NEIL2 DNA Glycosylase Analyzed by Hydrogen/Deuterium Exchange Mass Spectrometry".
Base excision repair; CD, circular dichroism; DNA damage; DNA glycosylases; DNA repair; DTT, (2S,3S)-1,4-Bis(sulfanyl)butane-2,3-diol; ESI, electrospray ionization; HDX-MS; HDX-MS, hydrogen-deuterium exchange mass spectrometry; HEPES, 2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethane-1-sulfonic acid; IPTG, Propan-2-yl 1-thio-ß-D-galactopyranoside; LB, Lysogeny broth; LC-MS, liquid chromatographymass spectrometry; MD, molecular dynamics; MDTRA, Molecular Dynamics Trajectory Reader & Analyzer; Molecular dynamics; NEIL2; PDB, Protein Data Bank; RMSD, root-mean-square deviation; SDS-PAGE, sodium dodecyl sulphatepolyacrylamide gel electrophoresis; Structural dynamics; TCEP, 3,3',3''-Phosphanetriyltripropanoic acid; hNEIL2, human endonuclease VIII-like 2 protein
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Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Data Brief
Year:
2022
Document type:
Article
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