Chlorine in PDB 5rz4: EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909

The structure of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909, PDB code: 5rz4 was solved by W.J.Bradshaw, V.L.Katis, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.93 / 1.61
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.420, 77.320, 99.700, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.7

The binding sites of Chlorine atom in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909 (pdb code 5rz4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909, PDB code: 5rz4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:59.9 occ:0.60 CL A:WH7401 0.0 59.9 0.6 C5 A:WH7401 1.7 53.2 0.6 C4 A:WH7401 2.7 53.4 0.6 C6 A:WH7401 2.7 50.7 0.6 C3 A:WH7401 3.0 52.5 0.6 OE2 A:GLU310 3.4 37.2 0.6 C9 A:WH7401 4.0 51.7 0.6 CD A:GLU310 4.0 37.1 0.6 C7 A:WH7401 4.0 50.5 0.6 N A:WH7401 4.5 54.8 0.6 C8 A:WH7401 4.5 50.4 0.6 OE1 A:GLU310 4.6 39.2 0.6 CG A:GLU310 4.6 36.3 0.6

Chlorine binding site 2 out of 4 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:56.8 occ:0.60 CL1 A:WH7401 0.0 56.8 0.6 C9 A:WH7401 1.7 51.7 0.6 N A:WH7401 2.4 54.8 0.6 C8 A:WH7401 2.7 50.4 0.6 C4 A:WH7401 2.7 53.4 0.6 C3 A:WH7401 3.1 52.5 0.6 CE1 A:HIS302 3.5 41.8 1.0 C2 A:WH7401 3.7 55.0 0.6 ND1 A:HIS302 3.9 44.4 1.0 C5 A:WH7401 4.0 53.2 0.6 C7 A:WH7401 4.0 50.5 0.6 NE2 A:HIS302 4.0 45.7 1.0 O A:WH7401 4.2 54.2 0.6 C6 A:WH7401 4.5 50.7 0.6 C1 A:WH7401 4.6 54.8 0.6 CG A:HIS302 4.6 35.3 1.0 CD2 A:HIS302 4.6 37.8 1.0 OE1 A:GLU310 4.9 39.2 0.6

Chlorine binding site 3 out of 4 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:59.2 occ:0.52 CL A:WH7402 0.0 59.2 0.5 C5 A:WH7402 1.7 53.8 0.5 C6 A:WH7402 2.6 53.0 0.5 C4 A:WH7402 2.7 53.1 0.5 N A:WH7402 2.9 55.1 0.5 C3 A:WH7402 3.1 53.3 0.5 C7 A:WH7402 3.9 49.4 0.5 C9 A:WH7402 3.9 52.2 0.5 ND1 A:HIS181 3.9 26.1 1.0 C2 A:WH7402 4.3 58.6 0.5 C8 A:WH7402 4.4 50.1 0.5 CE1 A:HIS181 4.5 27.5 1.0 C1 A:WH7402 4.5 60.3 0.5 C A:WH7402 4.5 60.0 0.5 O A:HOH652 5.0 22.8 0.5 CG A:HIS181 5.0 24.4 1.0

Chlorine binding site 4 out of 4 in the EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of EPB41L3 Pandda Analysis Group Deposition -- Crystal Structure of the Ferm Domain of Human EPB41L3 in Complex with Z2856434909 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:57.2 occ:0.52 CL1 A:WH7402 0.0 57.2 0.5 C9 A:WH7402 1.7 52.2 0.5 C8 A:WH7402 2.6 50.1 0.5 C4 A:WH7402 2.7 53.1 0.5 C3 A:WH7402 3.1 53.3 0.5 O A:LYS113 3.4 18.4 1.0 CD1 A:ILE115 3.5 31.4 1.0 CB A:LYS113 3.5 28.2 1.0 C A:LYS113 3.5 18.1 1.0 CG1 A:ILE115 3.6 26.5 1.0 O A:PHE182 3.9 18.4 1.0 OE2 A:GLU121 3.9 60.2 1.0 C7 A:WH7402 3.9 49.4 0.5 C5 A:WH7402 3.9 53.8 0.5 N A:VAL114 4.0 18.2 1.0 CB A:HIS181 4.0 20.2 1.0 N A:ILE115 4.0 15.6 1.0 CG A:HIS181 4.1 24.4 1.0 CA A:LYS113 4.2 21.0 1.0 N A:PHE182 4.2 16.7 1.0 CA A:HIS181 4.3 17.3 1.0 N A:WH7402 4.3 55.1 0.5 C A:VAL114 4.3 16.8 1.0 CA A:VAL114 4.3 18.8 1.0 C6 A:WH7402 4.5 53.0 0.5 CD2 A:HIS181 4.5 29.1 1.0 CD A:GLU121 4.5 50.9 1.0 C2 A:WH7402 4.6 58.6 0.5 CG A:GLU121 4.6 45.6 1.0 C A:HIS181 4.6 15.6 1.0 ND1 A:HIS181 4.7 26.1 1.0 CB A:ILE115 4.7 21.6 1.0 CA A:ILE115 4.8 19.1 1.0 CG A:LYS113 4.8 33.4 1.0 C A:PHE182 4.9 17.6 1.0 C1 A:WH7402 4.9 60.3 0.5

W.J.Bradshaw, V.L.Katis, J.A.Newman, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, O.Gileadi. EPB41L3 Pandda Analysis Group Deposition To Be Published.