Fluorine in PDB 7dzj: Fabp Protein Before Hv

The structure of Fabp Protein Before Hv, PDB code: 7dzj 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)	19.68 / 1.63
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.688, 66.179, 68.076, 90, 90, 90
R / Rfree (%)	18.6 / 23.1

The binding sites of Fluorine atom in the Fabp Protein Before Hv (pdb code 7dzj). 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 Protein Before Hv, PDB code: 7dzj:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Fabp Protein Before 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 Before Hv within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:28.8 occ:1.00 F14 A:HP963 0.0 28.8 1.0 C10 A:HP963 1.3 24.9 1.0 C11 A:HP963 2.3 22.6 1.0 C9 A:HP963 2.3 24.4 1.0 O A:HOH307 3.3 38.2 1.0 CD1 A:ILE52 3.3 26.2 1.0 C5 A:PLM201 3.4 38.8 1.0 C6 A:PLM201 3.4 33.8 1.0 C8 A:HP963 3.6 20.9 1.0 C6 A:HP963 3.6 22.2 1.0 C8 A:PLM201 3.7 34.7 1.0 CF A:PLM201 3.8 34.7 1.0 CE A:PLM201 3.9 30.2 1.0 C7 A:PLM201 4.0 32.4 1.0 C7 A:HP963 4.1 21.6 1.0 CD A:PLM201 4.3 30.8 1.0 C4 A:PLM201 4.4 35.2 1.0 CG1 A:ILE52 4.5 28.6 1.0 CD2 A:PHE50 4.6 24.0 1.0 CE2 A:PHE50 4.7 21.0 1.0 CC A:PLM201 4.7 33.8 1.0 OD1 A:ASN111 4.7 29.3 1.0 C3 A:HP963 4.8 23.6 1.0 OG1 A:THR102 4.8 22.9 1.0 O13 A:HP963 5.0 25.2 1.0

Fluorine binding site 2 out of 2 in the Fabp Protein Before 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 Before Hv within 5.0Å range: probe atom residue distance (Å) B Occ B:F63 b:33.2 occ:1.00 F14 B:HP963 0.0 33.2 1.0 C10 B:HP963 1.3 33.1 1.0 C11 B:HP963 2.3 29.3 1.0 C9 B:HP963 2.3 32.3 1.0 C6 B:PLM201 3.3 35.7 1.0 CE B:PLM201 3.4 42.0 1.0 CD1 B:ILE52 3.4 29.0 1.0 C5 B:PLM201 3.5 41.2 1.0 C6 B:HP963 3.6 29.8 1.0 C8 B:HP963 3.6 28.7 1.0 C8 B:PLM201 3.9 41.3 1.0 C4 B:PLM201 4.0 38.0 1.0 C7 B:HP963 4.0 27.3 1.0 C7 B:PLM201 4.2 38.5 1.0 CF B:PLM201 4.3 42.9 1.0 OD1 B:ASN111 4.5 32.7 1.0 CD B:PLM201 4.5 45.4 1.0 CG1 B:ILE52 4.6 29.4 1.0 C3 B:HP963 4.7 36.0 1.0 CD2 B:PHE50 4.8 26.1 1.0 OG1 B:THR102 4.8 25.2 1.0 CG B:PLM201 4.8 41.8 1.0 CE2 B:PHE50 4.9 30.0 1.0 O13 B:HP963 4.9 34.5 1.0 OG B:SER100 4.9 29.0 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