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Conformational stat...
Conformational states of the glucocorticoid receptor DNA-binding domain from molecular dynamics simulations
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- Bredenberg, Johan (författare)
- Södertörns högskola,Avdelning Naturvetenskap,Karolinska Institutet
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- Nilsson, L (författare)
- Karolinska Institutet
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(creator_code:org_t)
- 2002-08-13
- 2002
- Engelska.
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Ingår i: Proteins. - : Wiley. - 0887-3585 .- 1097-0134. ; 49:1, s. 24-36
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- Molecular dynamics simulations (MD) have been performed on variant crystal and NMR-derived structures of the glucocorticoid receptor DNA-binding domain (GR DBD). A loop region five residues long, the so-called D-box, exhibits significant flexibility, and transient perturbations of the tetrahedral geometry of two structurally important Cys4 zinc finger are seen, coupled to conformational changes in the D-box. In some cases, one of the Cys ligands to zinc exchanges with water, although no global distortion of the protein structure is observed. Thus, from MD simulation, dynamics of the D-box could partly be explained by solvent effects in conjunction with structural reformation of the zinc finger.
Ämnesord
- NATURVETENSKAP -- Biologi -- Biokemi och molekylärbiologi (hsv//swe)
- NATURAL SCIENCES -- Biological Sciences -- Biochemistry and Molecular Biology (hsv//eng)
Nyckelord
- zinc finger
- nuclear receptors
- DNA-binding domain
- conformational change
- molecular dynamics
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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