Fluorine in PDB 7dzk: Fabp Protein After Hv

The structure of Fabp Protein After Hv, PDB code: 7dzk 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)	19.69 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.922, 66.157, 68.136, 90, 90, 90
R / Rfree (%)	19.1 / 22.3

The binding sites of Fluorine atom in the Fabp Protein After Hv (pdb code 7dzk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Fabp Protein After Hv, PDB code: 7dzk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Fabp Protein After Hv


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Fabp Protein After Hv within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:30.8 occ:0.38 F14 A:HP963 0.0 30.8 0.4 F14 A:HP963 0.4 31.9 0.6 C10 A:HP963 1.3 28.2 0.6 C10 A:HP963 1.4 27.6 0.4 C9 A:HP963 2.3 26.3 0.6 C11 A:HP963 2.3 25.0 0.6 C11 A:HP963 2.4 25.8 0.4 C9 A:HP963 2.4 26.5 0.4 O A:HOH317 3.1 33.8 1.0 C5 A:PLM201 3.5 41.7 1.0 C8 A:HP963 3.5 22.4 0.6 C6 A:HP963 3.5 22.8 0.6 C8 A:HP963 3.6 22.4 0.4 C6 A:HP963 3.6 23.5 0.4 CE A:PLM201 3.6 35.1 1.0 CD1 A:ILE52 3.7 31.8 1.0 CF A:PLM201 3.8 38.2 1.0 C6 A:PLM201 3.8 34.7 1.0 C8 A:PLM201 3.9 36.5 1.0 C7 A:HP963 4.0 23.8 0.6 C7 A:HP963 4.1 24.2 0.4 CD A:PLM201 4.2 34.1 1.0 C7 A:PLM201 4.2 34.1 1.0 C4 A:PLM201 4.5 29.3 1.0 CC A:PLM201 4.7 35.2 1.0 OD1 A:ASN111 4.7 27.4 1.0 C3 A:HP963 4.8 25.1 0.6 CG1 A:ILE52 4.8 28.4 1.0 OG1 A:THR102 4.8 22.0 1.0 CE2 A:PHE50 4.8 23.1 0.7 C3 A:HP963 4.9 25.3 0.4 CD2 A:PHE50 4.9 24.8 0.7 O13 A:HP963 5.0 24.2 0.6

Fluorine binding site 2 out of 3 in the Fabp Protein After Hv


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Fabp Protein After Hv within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:31.9 occ:0.62 F14 A:HP963 0.0 31.9 0.6 F14 A:HP963 0.4 30.8 0.4 C10 A:HP963 1.3 28.2 0.6 C10 A:HP963 1.5 27.6 0.4 C11 A:HP963 2.3 25.0 0.6 C9 A:HP963 2.4 26.3 0.6 C11 A:HP963 2.4 25.8 0.4 C9 A:HP963 2.5 26.5 0.4 C5 A:PLM201 3.2 41.7 1.0 CD1 A:ILE52 3.3 31.8 1.0 O A:HOH317 3.4 33.8 1.0 C6 A:PLM201 3.5 34.7 1.0 C6 A:HP963 3.6 22.8 0.6 C8 A:HP963 3.6 22.4 0.6 C6 A:HP963 3.7 23.5 0.4 C8 A:HP963 3.7 22.4 0.4 CE A:PLM201 3.8 35.1 1.0 C8 A:PLM201 3.8 36.5 1.0 CF A:PLM201 4.0 38.2 1.0 C7 A:HP963 4.1 23.8 0.6 C7 A:PLM201 4.1 34.1 1.0 C4 A:PLM201 4.2 29.3 1.0 C7 A:HP963 4.2 24.2 0.4 CD A:PLM201 4.3 34.1 1.0 CG1 A:ILE52 4.4 28.4 1.0 CE2 A:PHE50 4.6 23.1 0.7 CD2 A:PHE50 4.6 24.8 0.7 CC A:PLM201 4.7 35.2 1.0 OD1 A:ASN111 4.8 27.4 1.0 C3 A:HP963 4.8 25.1 0.6 C3 A:HP963 4.9 25.3 0.4 OG1 A:THR102 5.0 22.0 1.0 O13 A:HP963 5.0 24.2 0.6

Fluorine binding site 3 out of 3 in the Fabp Protein After Hv


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Fabp Protein After Hv within 5.0Å range: probe atom residue distance (Å) B Occ B:F63 b:39.1 occ:1.00 F14 B:HP963 0.0 39.1 1.0 C10 B:HP963 1.4 39.6 1.0 C11 B:HP963 2.4 33.9 1.0 C9 B:HP963 2.4 39.0 1.0 C6 B:PLM201 3.1 35.6 1.0 CE B:PLM201 3.3 50.5 1.0 CD1 B:ILE52 3.4 34.6 1.0 C8 B:HP963 3.6 35.4 1.0 C5 B:PLM201 3.6 41.5 1.0 C6 B:HP963 3.6 35.8 1.0 C8 B:PLM201 3.9 45.7 1.0 C7 B:PLM201 4.0 35.3 1.0 C7 B:HP963 4.1 35.6 1.0 CD B:PLM201 4.2 51.8 1.0 CF B:PLM201 4.3 46.5 1.0 C4 B:PLM201 4.3 37.8 1.0 CG1 B:ILE52 4.6 29.1 1.0 CG B:PLM201 4.6 48.5 1.0 OD1 B:ASN111 4.7 29.9 1.0 C3 B:HP963 4.9 41.7 1.0 OG1 B:THR102 4.9 24.5 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