Fluorine in PDB 7drp: Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp

The structure of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp, PDB code: 7drp was solved by I.Song, J.Yu, W.Song, S.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.19 / 2.98
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	89.587, 91.656, 98.198, 90, 101.31, 90
R / Rfree (%)	20.7 / 21

The structure of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp also contains other interesting chemical elements:

Magnesium

(Mg)

8 atoms

The binding sites of Fluorine atom in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp (pdb code 7drp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp, PDB code: 7drp:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range: probe atom residue distance (Å) B Occ E:F24 b:107.6 occ:1.00 F01 E:DV924 0.0 107.6 1.0 C45 E:DV924 1.4 107.9 1.0 F02 E:DV924 2.2 108.7 1.0 CD E:DV924 2.3 102.7 1.0 P01 E:DV924 2.6 112.8 1.0 CG E:DV924 2.7 95.9 1.0 O16 E:DV924 2.8 115.0 1.0 CE A:MET288 3.2 70.9 1.0 SD A:MET288 3.3 70.2 1.0 OE1 E:DV924 3.4 103.6 1.0 O15 E:DV924 3.5 115.3 1.0 O14 E:DV924 3.9 113.9 1.0 CB E:DV924 4.2 87.6 1.0 OH A:TYR81 4.4 81.4 1.0 CZ A:TYR81 4.4 82.3 1.0 CE1 A:TYR81 4.5 80.8 1.0 CA E:DV924 4.9 79.5 1.0 CG E:GLU25 4.9 68.7 1.0 CE2 A:TYR81 4.9 83.2 1.0 CG A:MET288 4.9 67.1 1.0

Fluorine binding site 2 out of 2 in the Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Atp-Grasp Ligase Psnb Complexed with Phosphomimetic Variant of Minimal Precursor, Mg, and Adp within 5.0Å range: probe atom residue distance (Å) B Occ E:F24 b:108.7 occ:1.00 F02 E:DV924 0.0 108.7 1.0 C45 E:DV924 1.4 107.9 1.0 F01 E:DV924 2.2 107.6 1.0 CD E:DV924 2.4 102.7 1.0 P01 E:DV924 2.6 112.8 1.0 OE1 E:DV924 2.7 103.6 1.0 O14 E:DV924 2.9 113.9 1.0 O16 E:DV924 3.6 115.0 1.0 CG E:DV924 3.7 95.9 1.0 O15 E:DV924 3.7 115.3 1.0 CB E:DV924 4.7 87.6 1.0 SD A:MET288 4.9 70.2 1.0 CG E:GLU25 5.0 68.7 1.0

I.Song, Y.Kim, J.Yu, S.Go, H.Lee, W.Song, S.Kim. Molecular Mechanism Underlying Substrate Recognition of the Peptide Macrocyclase Psnb To Be Published.