Fluorine in PDB 7dzh: Intermediate of Fabp with A Delay Time of 100 Ns

The structure of Intermediate of Fabp with A Delay Time of 100 Ns, PDB code: 7dzh 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 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.71, 66.71, 69.04, 90, 90, 90
R / Rfree (%)	17.6 / 20.1

The binding sites of Fluorine atom in the Intermediate of Fabp with A Delay Time of 100 Ns (pdb code 7dzh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Intermediate of Fabp with A Delay Time of 100 Ns, PDB code: 7dzh:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Intermediate of Fabp with A Delay Time of 100 Ns


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Intermediate of Fabp with A Delay Time of 100 Ns within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:30.6 occ:0.75 F14 A:HP963 0.0 30.6 0.8 F14 A:HP963 0.4 26.1 0.2 C10 A:HP963 1.3 25.1 0.8 C10 A:HP963 1.5 24.7 0.2 C9 A:HP963 2.3 23.7 0.2 C11 A:HP963 2.3 23.1 0.8 C9 A:HP963 2.4 23.4 0.8 C11 A:HP963 2.6 23.4 0.2 C6 A:PLM201 3.4 38.9 1.0 C6 A:HP963 3.6 20.7 0.8 C8 A:HP963 3.6 22.5 0.8 C5 A:PLM201 3.6 46.5 1.0 C8 A:HP963 3.6 22.6 0.2 CD1 A:ILE52 3.7 27.3 1.0 CE A:PLM201 3.7 44.4 1.0 C8 A:PLM201 3.8 37.7 1.0 C6 A:HP963 3.8 20.8 0.2 C7 A:PLM201 3.8 40.3 1.0 C7 A:HP963 4.1 20.1 0.8 CG A:PLM201 4.2 48.6 1.0 C7 A:HP963 4.2 21.1 0.2 CF A:PLM201 4.3 46.3 1.0 C4 A:PLM201 4.6 40.5 1.0 CD2 A:PHE50 4.7 21.4 1.0 CE2 A:PHE50 4.7 24.6 1.0 OD1 A:ASN111 4.7 27.6 1.0 C3 A:HP963 4.8 25.7 0.8 CG1 A:ILE52 4.8 20.1 1.0 CD A:PLM201 4.9 45.0 1.0 OG1 A:THR102 4.9 21.2 1.0

Fluorine binding site 2 out of 4 in the Intermediate of Fabp with A Delay Time of 100 Ns


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Intermediate of Fabp with A Delay Time of 100 Ns within 5.0Å range: probe atom residue distance (Å) B Occ A:F63 b:26.1 occ:0.25 F14 A:HP963 0.0 26.1 0.2 F14 A:HP963 0.4 30.6 0.8 C10 A:HP963 1.3 25.1 0.8 C10 A:HP963 1.3 24.7 0.2 C11 A:HP963 2.2 23.1 0.8 C11 A:HP963 2.4 23.4 0.2 C9 A:HP963 2.4 23.7 0.2 C9 A:HP963 2.4 23.4 0.8 C6 A:HP963 3.5 20.7 0.8 CE A:PLM201 3.5 44.4 1.0 C8 A:HP963 3.6 22.5 0.8 C6 A:HP963 3.6 20.8 0.2 C8 A:HP963 3.6 22.6 0.2 C6 A:PLM201 3.7 38.9 1.0 CD1 A:ILE52 3.8 27.3 1.0 CG A:PLM201 3.8 48.6 1.0 C8 A:PLM201 3.9 37.7 1.0 C5 A:PLM201 4.0 46.5 1.0 CF A:PLM201 4.0 46.3 1.0 C7 A:HP963 4.0 20.1 0.8 C7 A:PLM201 4.1 40.3 1.0 C7 A:HP963 4.1 21.1 0.2 C3 A:HP963 4.7 25.7 0.8 CD A:PLM201 4.7 45.0 1.0 O13 A:HP963 4.8 25.9 0.8 CD2 A:PHE50 4.9 21.4 1.0 C3 A:HP963 4.9 24.6 0.2 CE2 A:PHE50 4.9 24.6 1.0 CC A:PLM201 4.9 45.6 1.0 C4 A:PLM201 4.9 40.5 1.0 OD1 A:ASN111 4.9 27.6 1.0 CG1 A:ILE52 5.0 20.1 1.0

Fluorine binding site 3 out of 4 in the Intermediate of Fabp with A Delay Time of 100 Ns


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Intermediate of Fabp with A Delay Time of 100 Ns within 5.0Å range: probe atom residue distance (Å) B Occ B:F63 b:32.3 occ:0.80 F14 B:HP963 0.0 32.3 0.8 F14 B:HP963 0.1 32.0 0.2 C10 B:HP963 1.3 33.7 0.8 C10 B:HP963 1.5 31.7 0.2 C11 B:HP963 2.3 29.0 0.8 C9 B:HP963 2.4 29.8 0.8 C11 B:HP963 2.5 29.3 0.2 C9 B:HP963 2.5 29.2 0.2 C6 B:PLM201 3.2 45.6 1.0 C5 B:PLM201 3.4 45.9 1.0 C6 B:HP963 3.6 26.0 0.8 CD1 B:ILE52 3.6 31.8 1.0 C8 B:HP963 3.6 25.8 0.8 CE B:PLM201 3.7 55.8 1.0 C6 B:HP963 3.7 27.4 0.2 C8 B:HP963 3.7 27.7 0.2 C8 B:PLM201 3.8 42.4 1.0 C7 B:PLM201 3.9 37.9 1.0 CG B:PLM201 4.0 68.4 1.0 C7 B:HP963 4.1 27.0 0.8 C7 B:HP963 4.2 26.8 0.2 CF B:PLM201 4.4 61.0 1.0 C4 B:PLM201 4.4 43.9 1.0 CD B:PLM201 4.6 52.5 1.0 CE B:MET113 4.7 29.8 0.5 CG1 B:ILE52 4.7 24.5 1.0 OD1 B:ASN111 4.8 28.3 1.0 CD2 B:PHE50 4.8 27.5 1.0 C3 B:HP963 4.8 30.5 0.8 CE2 B:PHE50 4.9 32.7 1.0 C3 B:HP963 4.9 30.1 0.2 OG1 B:THR102 4.9 22.8 1.0 O13 B:HP963 5.0 33.3 0.8

Fluorine binding site 4 out of 4 in the Intermediate of Fabp with A Delay Time of 100 Ns


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Intermediate of Fabp with A Delay Time of 100 Ns within 5.0Å range: probe atom residue distance (Å) B Occ B:F63 b:32.0 occ:0.20 F14 B:HP963 0.0 32.0 0.2 F14 B:HP963 0.1 32.3 0.8 C10 B:HP963 1.2 33.7 0.8 C10 B:HP963 1.3 31.7 0.2 C11 B:HP963 2.3 29.0 0.8 C9 B:HP963 2.3 29.8 0.8 C9 B:HP963 2.4 29.2 0.2 C11 B:HP963 2.4 29.3 0.2 C6 B:PLM201 3.3 45.6 1.0 C5 B:PLM201 3.4 45.9 1.0 C6 B:HP963 3.5 26.0 0.8 C8 B:HP963 3.5 25.8 0.8 CD1 B:ILE52 3.6 31.8 1.0 C6 B:HP963 3.6 27.4 0.2 C8 B:HP963 3.6 27.7 0.2 CE B:PLM201 3.7 55.8 1.0 C8 B:PLM201 3.9 42.4 1.0 C7 B:PLM201 4.0 37.9 1.0 C7 B:HP963 4.0 27.0 0.8 CG B:PLM201 4.1 68.4 1.0 C7 B:HP963 4.1 26.8 0.2 C4 B:PLM201 4.4 43.9 1.0 CF B:PLM201 4.4 61.0 1.0 CD B:PLM201 4.7 52.5 1.0 C3 B:HP963 4.7 30.5 0.8 CD2 B:PHE50 4.7 27.5 1.0 CG1 B:ILE52 4.8 24.5 1.0 OD1 B:ASN111 4.8 28.3 1.0 CE2 B:PHE50 4.8 32.7 1.0 CE B:MET113 4.8 29.8 0.5 C3 B:HP963 4.9 30.1 0.2 OG1 B:THR102 4.9 22.8 1.0 O13 B:HP963 4.9 33.3 0.8

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