Fluorine in PDB 7dze: Fabp Ground State Captured By Xfels

The structure of Fabp Ground State Captured By Xfels, PDB code: 7dze was solved by H.Li, L.-J.Yu, X.Liu, J.-R.Shen, J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.87 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.65, 66.7, 69.02, 90, 90, 90
R / Rfree (%)	17.7 / 19.8

The binding sites of Fluorine atom in the Fabp Ground State Captured By Xfels (pdb code 7dze). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Fabp Ground State Captured By Xfels, PDB code: 7dze:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Fabp Ground State Captured By Xfels


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fabp Ground State Captured By Xfels within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:30.2 occ:1.00 F14 A:HP963 0.0 30.2 1.0 C10 A:HP963 1.3 25.9 1.0 C11 A:HP963 2.3 24.6 1.0 C9 A:HP963 2.4 23.7 1.0 C6 A:PLM201 3.4 35.6 1.0 C5 A:PLM201 3.5 42.3 1.0 C6 A:HP963 3.6 21.9 1.0 C8 A:HP963 3.6 22.9 1.0 CD1 A:ILE52 3.7 26.6 1.0 C8 A:PLM201 3.7 34.8 1.0 C7 A:PLM201 3.9 35.3 1.0 CE A:PLM201 3.9 39.5 1.0 C7 A:HP963 4.1 20.1 1.0 CG A:PLM201 4.1 43.8 1.0 CF A:PLM201 4.4 41.0 1.0 C4 A:PLM201 4.6 33.5 1.0 CD2 A:PHE50 4.6 22.5 1.0 CE2 A:PHE50 4.6 24.4 1.0 OD1 A:ASN111 4.7 29.4 1.0 CG1 A:ILE52 4.8 21.7 1.0 C3 A:HP963 4.8 26.2 1.0 CD A:PLM201 4.8 42.7 1.0 OG1 A:THR102 4.9 22.1 1.0 CC A:PLM201 5.0 45.2 1.0

Fluorine binding site 2 out of 2 in the Fabp Ground State Captured By Xfels


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Fabp Ground State Captured By Xfels within 5.0Å range: probe atom residue distance (Å) B Occ B:F63 b:32.8 occ:1.00 F14 B:HP963 0.0 32.8 1.0 C10 B:HP963 1.3 34.0 1.0 C11 B:HP963 2.3 28.3 1.0 C9 B:HP963 2.4 30.7 1.0 C6 B:PLM201 3.4 38.6 1.0 C6 B:HP963 3.6 28.5 1.0 CD1 B:ILE52 3.6 32.0 1.0 C5 B:PLM201 3.6 41.1 1.0 CE B:PLM201 3.6 44.3 1.0 C8 B:HP963 3.6 27.4 1.0 C8 B:PLM201 3.8 40.0 1.0 C7 B:PLM201 3.9 36.4 1.0 CG B:PLM201 4.0 53.3 1.0 C7 B:HP963 4.1 27.4 1.0 CF B:PLM201 4.3 46.7 1.0 C4 B:PLM201 4.5 38.9 1.0 CE B:MET113 4.7 33.3 0.5 CD B:PLM201 4.7 47.8 1.0 OD1 B:ASN111 4.7 29.4 1.0 CG1 B:ILE52 4.8 27.2 1.0 CD2 B:PHE50 4.8 28.1 1.0 C3 B:HP963 4.8 31.3 1.0 CE2 B:PHE50 4.8 30.2 1.0 OG1 B:THR102 4.9 23.1 1.0 O13 B:HP963 5.0 34.0 1.0

X.Liu, P.Liu, H.Li, Z.Xu, L.Jia, Y.Xia, M.Yu, W.Tang, X.Zhu, C.Chen, Y.Zhang, E.Nango, R.Tanaka, F.Luo, K.Kato, Y.Nakajima, S.Kishi, H.Yu, N.Matsubara, S.Owada, K.Tono, S.Iwata, L.J.Yu, J.R.Shen, J.Wang. Excited-State Intermediates in A Designer Protein Encoding A Phototrigger Caught By An X-Ray Free-Electron Laser. Nat.Chem. V. 14 1054 2022.
ISSN: ESSN 1755-4349
PubMed: 35851837
DOI: 10.1038/S41557-022-00992-3