Fluorine in PDB 7gal: Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160

The structure of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160, PDB code: 7gal was solved by A.Kumar, P.G.Marples, C.W.E.Tomlinson, D.Fearon, F.Von-Delft, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.08 / 1.91
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	60.872, 60.872, 35.413, 90, 90, 90
R / Rfree (%)	19.3 / 25.1

The structure of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160 (pdb code 7gal). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160, PDB code: 7gal:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:40.0 occ:0.62 F A:LV4201 0.0 40.0 0.6 C7 A:LV4201 1.3 38.3 0.6 F1 A:LV4201 2.1 40.5 0.6 F2 A:LV4201 2.1 39.0 0.6 O A:LV4201 2.2 36.6 0.6 C3 A:LV4201 3.4 34.6 0.6 CE1 A:HIS27 3.6 48.8 1.0 CD1 A:LEU53 3.9 41.9 1.0 O A:HOH382 3.9 63.3 0.6 ND1 A:HIS27 4.0 42.8 1.0 NE2 A:HIS27 4.1 45.1 1.0 N A:LV4201 4.2 33.9 0.6 C2 A:LV4201 4.3 33.4 0.6 C4 A:LV4201 4.3 34.0 0.6 C6 A:LV4201 4.4 35.5 0.6 CG A:LEU53 4.7 41.1 1.0 CG A:HIS27 4.7 45.5 1.0 CD2 A:HIS27 4.7 45.0 1.0 N1 A:LV4201 4.8 35.2 0.6 CB A:LEU53 4.8 37.0 1.0 S A:LV4201 5.0 34.7 0.6

Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:40.5 occ:0.62 F1 A:LV4201 0.0 40.5 0.6 C7 A:LV4201 1.3 38.3 0.6 F A:LV4201 2.1 40.0 0.6 F2 A:LV4201 2.1 39.0 0.6 O A:LV4201 2.2 36.6 0.6 C3 A:LV4201 2.8 34.6 0.6 C2 A:LV4201 3.0 33.4 0.6 CE1 A:HIS27 3.5 48.8 1.0 ND1 A:HIS27 3.5 42.8 1.0 NZ A:LYS30 3.8 46.1 0.6 C4 A:LV4201 4.0 34.0 0.6 C1 A:LV4201 4.2 33.2 0.6 N A:LV4201 4.5 33.9 0.6 CE A:LYS30 4.5 43.3 0.6 NE2 A:HIS27 4.6 45.1 1.0 CG A:HIS27 4.6 45.5 1.0 CD A:LYS30 4.8 42.5 0.6 CD1 A:LEU53 4.9 41.9 1.0 C5 A:LV4201 5.0 33.6 0.6

Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z291279160 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:39.0 occ:0.62 F2 A:LV4201 0.0 39.0 0.6 C7 A:LV4201 1.3 38.3 0.6 F1 A:LV4201 2.1 40.5 0.6 F A:LV4201 2.1 40.0 0.6 O A:LV4201 2.2 36.6 0.6 C3 A:LV4201 2.8 34.6 0.6 N A:LV4201 3.2 33.9 0.6 CD1 A:LEU53 3.2 41.9 1.0 C4 A:LV4201 3.3 34.0 0.6 CB A:LEU53 3.3 37.0 1.0 C2 A:LV4201 3.7 33.4 0.6 ND1 A:HIS27 3.7 42.8 1.0 CG A:LEU53 3.8 41.1 1.0 CD A:LYS30 3.9 42.5 0.6 CE1 A:HIS27 4.0 48.8 1.0 C6 A:LV4201 4.0 35.5 0.6 NZ A:LYS30 4.0 46.1 0.6 CG A:LYS30 4.1 40.1 0.6 CG A:HIS27 4.2 45.5 1.0 O A:LEU53 4.2 36.9 1.0 CE A:LYS30 4.4 43.3 0.6 C5 A:LV4201 4.4 33.6 0.6 NE2 A:HIS27 4.6 45.1 1.0 CA A:LEU53 4.6 36.4 1.0 C1 A:LV4201 4.7 33.2 0.6 S A:LV4201 4.7 34.7 0.6 CD2 A:HIS27 4.7 45.0 1.0 CB A:HIS27 4.8 41.0 1.0 N1 A:LV4201 4.8 35.2 0.6 C A:LEU53 4.8 34.0 1.0 O A:HOH382 4.9 63.3 0.6 CB A:LYS30 4.9 37.5 0.6 C A:LV4201 5.0 33.4 0.6

A.Kumar, S.Knapp, Structural Genomics Consortium (Sgc). Pandda Analysis Group Deposition To Be Published.