High-resolution neutron and X-ray diffraction room-temperature studies of an H-FABP–oleic acid complex: study of the internal water cluster and ligand binding by a transferred multipolar electron-density distribution

Howard, E.I.; Guillot, B.; Blakeley, M.P.; Haertlein, M.; Moulin, M.; Mitschler, A.; Cousido-Siah, A.; Fadel, F.; Valsecchi, W.M.; Tomizaki, T.; Petrova, T.; Claudot, J.; Podjarny, A.

doi:10.1107/S2052252515024161

Figure 5
0.01 e Å⁻³ total electron-density isosurface of the FA in the binding pocket, mapped by the electrostatic potential (e/Å) generated by the whole protein, including explicit water molecules.

IUCrJ

Volume 3| Part 2| March 2016| Pages 115-126

ISSN: 2052-2525

doi:10.1107/S2052252515024161

BIOLOGY | MEDICINE

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