Fluorine in PDB 7gan: Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z56767614

The structure of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z56767614, PDB code: 7gan 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)	43.24 / 2.09
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	61.091, 61.091, 35.54, 90, 90, 90
R / Rfree (%)	18.9 / 25.6

The structure of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z56767614 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 Z56767614 (pdb code 7gan). 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 Z56767614, PDB code: 7gan:
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 Z56767614


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 Z56767614 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:111.1 occ:0.72 F A:RWP201 0.0 111.1 0.7 C9 A:RWP201 1.3 104.3 0.7 F2 A:RWP201 2.1 107.8 0.7 F1 A:RWP201 2.1 106.2 0.7 C8 A:RWP201 2.3 97.1 0.7 CD2 A:PHE52 2.4 59.7 1.0 N A:RWP201 2.7 87.4 0.7 CG A:PHE52 3.1 54.5 1.0 CB A:PHE52 3.3 49.6 1.0 CE2 A:PHE52 3.3 61.6 1.0 O1 A:RWP201 3.3 102.1 0.7 O A:HOH327 3.9 49.8 1.0 NH1 A:ARG70 3.9 65.6 1.0 C5 A:RWP201 4.0 85.5 0.7 CA A:PHE52 4.1 48.5 1.0 CE A:LYS49 4.3 84.0 1.0 CD1 A:PHE52 4.4 55.0 1.0 CZ A:PHE52 4.5 55.5 1.0 C6 A:RWP201 4.6 84.0 0.7 NZ A:LYS49 4.7 85.0 1.0 CZ A:ARG70 4.7 67.1 1.0 N A:LEU53 4.8 50.4 1.0 C A:PHE52 4.8 48.7 1.0 CD A:ARG70 4.9 64.8 1.0 CE1 A:PHE52 4.9 56.7 1.0

Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z56767614


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 Z56767614 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:106.2 occ:0.72 F1 A:RWP201 0.0 106.2 0.7 C9 A:RWP201 1.3 104.3 0.7 F A:RWP201 2.1 111.1 0.7 F2 A:RWP201 2.1 107.8 0.7 C8 A:RWP201 2.4 97.1 0.7 O1 A:RWP201 2.6 102.1 0.7 N A:RWP201 3.5 87.4 0.7 CD2 A:PHE52 3.6 59.7 1.0 CD1 A:ILE67 3.7 52.9 0.3 CG2 A:ILE66 3.7 41.4 1.0 CB A:PHE52 3.8 49.6 1.0 CG A:PHE52 3.9 54.5 1.0 CD1 A:LEU63 4.1 44.4 1.0 CG2 A:VAL54 4.2 43.8 1.0 CE2 A:PHE52 4.4 61.6 1.0 CD1 A:ILE35 4.6 55.7 1.0 C5 A:RWP201 4.8 85.5 0.7 CD1 A:PHE52 4.8 55.0 1.0 CG1 A:ILE67 4.8 52.2 0.3 CB A:ILE66 4.9 41.5 1.0

Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z56767614


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 Z56767614 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:107.8 occ:0.72 F2 A:RWP201 0.0 107.8 0.7 C9 A:RWP201 1.3 104.3 0.7 F A:RWP201 2.1 111.1 0.7 F1 A:RWP201 2.1 106.2 0.7 C8 A:RWP201 2.4 97.1 0.7 N A:RWP201 2.9 87.4 0.7 O1 A:RWP201 3.2 102.1 0.7 CG2 A:ILE66 3.4 41.4 1.0 NH1 A:ARG70 3.5 65.6 1.0 CD2 A:PHE52 3.9 59.7 1.0 CD A:ARG70 4.0 64.8 1.0 C5 A:RWP201 4.3 85.5 0.7 CE2 A:PHE52 4.3 61.6 1.0 CD1 A:ILE67 4.4 52.9 0.3 O A:HOH322 4.4 50.1 1.0 CZ A:ARG70 4.5 67.1 1.0 NE A:ARG70 4.7 66.0 1.0 CG A:PHE52 4.8 54.5 1.0 CB A:ILE66 4.9 41.5 1.0 C4 A:RWP201 4.9 84.5 0.7

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