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Structure paper

TitleMolecular Blueprint of Allosteric Binding Sites in a Homologue of the Agonist-Binding Domain of the Alpha7 Nicotinic Acetylcholine Receptor.
Journal, issue, pagesProc. Natl. Acad. Sci. USA, Vol. 112, Page E2543-, Year 2015
Publish dateJan 22, 2015 (structure data deposition date)
AuthorsSpurny, R. / Debaveye, S. / Farinha, A. / Veys, K. / Vos, A.M. / Gossas, T. / Atack, J. / Bertrand, S. / Bertrand, D. / Danielson, U.H. ...Spurny, R. / Debaveye, S. / Farinha, A. / Veys, K. / Vos, A.M. / Gossas, T. / Atack, J. / Bertrand, S. / Bertrand, D. / Danielson, U.H. / Tresadern, G. / Ulens, C.
External linksProc. Natl. Acad. Sci. USA / PubMed:25918415
MethodsX-ray diffraction
Resolution2.149 - 2.85 Å
Structure data

PDB-5afh:
alpha7-AChBP in complex with lobeline
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-5afj:
alpha7-AChBP in complex with lobeline and fragment 1
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-5afk:
alpha7-AChBP in complex with lobeline and fragment 2
Method: X-RAY DIFFRACTION / Resolution: 2.381 Å

PDB-5afl:
alpha7-AChBP in complex with lobeline and fragment 3
Method: X-RAY DIFFRACTION / Resolution: 2.385 Å

PDB-5afm:
alpha7-AChBP in complex with lobeline and fragment 4
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

PDB-5afn:
alpha7-AChBP in complex with lobeline and fragment 5
Method: X-RAY DIFFRACTION / Resolution: 2.149 Å

Chemicals

ChemComp-L0B:
Alpha-Lobeline / alkaloid*YM

ChemComp-HOH:
WATER

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-42R:
(3S)-6-(4-bromophenyl)-3-hydroxy-1,3-dimethyl-2,3-dihydropyridin-4(1H)-one

ChemComp-GOL:
GLYCEROL

ChemComp-BMA:
beta-D-mannopyranose

ChemComp-MAN:
alpha-D-mannopyranose

ChemComp-5VU:
N-(2,4-difluorophenyl)pyrrolidine-1-carboxamide

ChemComp-TLA:
L(+)-TARTARIC ACID

ChemComp-FHV:
N-(3-METHYLPHENYL)PYRROLIDINE-1-CARBOXAMIDE

ChemComp-9Z0:
4,5-dibromo-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide

ChemComp-OJD:
(4R)-4-(2-phenylethyl)pyrrolidin-2-one

Source
  • homo sapiens (human)
  • lymnaea stagnalis (great pond snail)
KeywordsTRANSPORT PROTEIN / PENTAMERIC LIGAND-GATED ION CHANNELS / CYS-LOOP RECEPTOR / NICOTINIC ACETYLCHOLINE RECEPTOR / ALLOSTERIC MODULATION / DRUG DISCOVERY

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