Chlorine in PDB 7gas: Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z952016136

The structure of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z952016136, PDB code: 7gas 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)	30.68 / 1.91
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	60.854, 60.854, 35.496, 90, 90, 90
R / Rfree (%)	21.9 / 27.6

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z952016136 (pdb code 7gas). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z952016136, PDB code: 7gas:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z952016136


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z952016136 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:36.6 occ:0.26 CL1 A:KBU201 0.0 36.6 0.3 C1 A:KBU201 1.7 34.2 0.3 C2 A:KBU201 2.7 34.0 0.3 C7 A:KBU201 2.7 35.8 0.3 N2 A:KBU201 3.3 34.1 0.3 CG1 A:ILE67 3.4 41.1 0.3 CA A:ILE67 3.5 42.9 0.3 CD A:ARG70 3.6 61.8 1.0 CB A:ARG70 3.7 48.5 1.0 CG2 A:ILE66 3.8 41.7 1.0 N A:ILE67 3.8 42.1 0.3 CE2 A:PHE52 3.9 54.7 1.0 CB A:ILE67 3.9 41.7 0.3 C3 A:KBU201 4.0 33.2 0.3 C5 A:KBU201 4.0 35.6 0.3 C A:ILE66 4.1 41.1 1.0 O A:ILE66 4.1 41.0 1.0 CG A:ARG70 4.1 55.4 1.0 CD2 A:PHE52 4.2 45.7 1.0 CZ A:PHE52 4.3 55.9 1.0 CG2 A:ILE67 4.5 41.7 0.3 C4 A:KBU201 4.5 34.3 0.3 C6 A:KBU201 4.6 34.4 0.3 O A:HOH323 4.6 42.8 1.0 CD1 A:ILE35 4.7 43.2 1.0 CB A:ILE66 4.7 41.9 1.0 CD1 A:ILE67 4.7 39.2 0.3 C A:ILE67 4.7 45.6 0.3 CG A:PHE52 4.8 47.6 1.0 NE A:ARG70 4.8 65.1 1.0 O A:ILE67 4.9 46.7 0.3 CE1 A:PHE52 4.9 54.1 1.0 N1 A:KBU201 5.0 34.5 0.3 CA A:ILE66 5.0 39.5 1.0

Chlorine binding site 2 out of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z952016136


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of MAP1LC3B in Complex with Z952016136 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:52.5 occ:1.00 O A:HOH328 2.8 44.0 1.0 OG1 A:THR29 3.1 30.6 1.0 N A:THR29 3.3 38.6 1.0 CA A:HIS27 3.5 43.9 1.0 CD A:PRO28 3.6 47.1 1.0 C A:HIS27 3.6 32.5 1.0 N A:PRO28 3.6 36.6 1.0 CB A:THR29 3.8 33.5 1.0 CG2 A:THR29 3.9 37.4 1.0 CG A:PRO28 3.9 46.1 1.0 CA A:THR29 4.0 39.3 1.0 O A:HIS27 4.2 46.1 1.0 CB A:HIS27 4.2 48.7 1.0 C A:PRO28 4.3 40.5 1.0 CG A:LYS30 4.4 43.2 1.0 O A:HOH383 4.4 53.5 1.0 NZ A:LYS30 4.4 47.4 1.0 CA A:PRO28 4.5 37.1 1.0 CE A:LYS30 4.5 48.1 1.0 C A:THR29 4.5 39.0 1.0 N A:LYS30 4.5 34.7 1.0 N A:HIS27 4.7 41.7 1.0 ND1 A:HIS27 4.7 55.6 1.0 O A:GLN26 4.8 47.8 1.0 CD A:LYS30 4.8 44.4 1.0 CB A:PRO28 4.9 42.2 1.0 CG A:HIS27 4.9 61.1 1.0

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