Fluorine in PDB 7dzl: A69C-M71L Mutant of Fabp Protein

The structure of A69C-M71L Mutant of Fabp Protein, PDB code: 7dzl 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)	19.85 / 1.64
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.987, 66.83, 68.406, 90, 90, 90
R / Rfree (%)	18.7 / 21.5

The binding sites of Fluorine atom in the A69C-M71L Mutant of Fabp Protein (pdb code 7dzl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the A69C-M71L Mutant of Fabp Protein, PDB code: 7dzl:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the A69C-M71L Mutant of Fabp Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of A69C-M71L Mutant of Fabp Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:22.1 occ:1.00 F14 A:HP963 0.0 22.1 1.0 C10 A:HP963 1.3 17.3 1.0 C11 A:HP963 2.4 13.2 1.0 C9 A:HP963 2.4 17.4 1.0 C5 A:PLM201 3.3 30.0 1.0 O A:HOH304 3.3 32.6 1.0 CD1 A:ILE52 3.5 22.9 1.0 C6 A:PLM201 3.5 25.8 1.0 C6 A:HP963 3.6 12.5 1.0 C8 A:HP963 3.6 13.3 1.0 CF A:PLM201 3.7 32.5 1.0 CE A:PLM201 3.8 33.9 1.0 C8 A:PLM201 3.9 29.3 1.0 C4 A:PLM201 4.1 23.6 1.0 C7 A:PLM201 4.1 28.5 1.0 C7 A:HP963 4.1 13.7 1.0 CG1 A:ILE52 4.5 20.2 1.0 CE2 A:PHE50 4.5 15.6 1.0 CD2 A:PHE50 4.5 13.5 1.0 CD A:PLM201 4.6 28.4 1.0 OD1 A:ASN111 4.6 21.0 1.0 C3 A:HP963 4.8 15.3 1.0 OG1 A:THR102 4.8 16.4 1.0 CC A:PLM201 4.9 29.3 1.0

Fluorine binding site 2 out of 2 in the A69C-M71L Mutant of Fabp Protein


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of A69C-M71L Mutant of Fabp Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:F63 b:23.5 occ:1.00 F14 B:HP963 0.0 23.5 1.0 C10 B:HP963 1.3 22.4 1.0 C11 B:HP963 2.4 19.2 1.0 C9 B:HP963 2.4 20.8 1.0 C6 B:PLM201 3.4 32.4 1.0 C5 B:PLM201 3.4 29.4 1.0 CD1 B:ILE52 3.5 19.8 1.0 CE B:PLM201 3.6 40.6 1.0 C8 B:PLM201 3.6 32.0 1.0 C6 B:HP963 3.6 16.8 1.0 C8 B:HP963 3.6 15.0 1.0 C7 B:PLM201 3.8 26.8 1.0 C7 B:HP963 4.1 15.4 1.0 CD B:PLM201 4.3 40.6 1.0 CG B:PLM201 4.3 35.8 1.0 C4 B:PLM201 4.4 27.1 1.0 CF B:PLM201 4.5 34.3 1.0 OD1 B:ASN111 4.5 22.1 1.0 CG1 B:ILE52 4.5 18.7 1.0 CD2 B:PHE50 4.7 18.2 1.0 CE2 B:PHE50 4.8 17.7 1.0 OG1 B:THR102 4.8 16.1 1.0 C3 B:HP963 4.8 19.6 1.0 ND2 B:ASN111 5.0 17.7 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