Chlorine in PDB 3i3n: Crystal Structure of the Btb-Back Domains of Human KLHL11

The structure of Crystal Structure of the Btb-Back Domains of Human KLHL11, PDB code: 3i3n was solved by J.W.Murray, C.D.O.Cooper, T.Krojer, P.Mahajan, E.Salah, T.Keates, P.Savitsky, A.C.W.Pike, A.Roos, J.Muniz, F.Von Delft, C.Bountra, C.H.Arrowsmith, J.Weigelt, A.Edwards, S.Knapp, A.Bullock, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.33 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.093, 68.879, 136.834, 90.00, 97.44, 90.00
R / Rfree (%)	26 / 28.6

The binding sites of Chlorine atom in the Crystal Structure of the Btb-Back Domains of Human KLHL11 (pdb code 3i3n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Btb-Back Domains of Human KLHL11, PDB code: 3i3n:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Btb-Back Domains of Human KLHL11


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Btb-Back Domains of Human KLHL11 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:80.7 occ:1.00 CH2 A:TRP252 4.2 60.9 1.0 CZ2 A:TRP252 4.2 60.6 1.0 CZ3 A:TRP252 4.2 61.8 1.0 CB A:ASP251 4.3 69.3 1.0 CE2 A:TRP252 4.3 60.1 1.0 CE3 A:TRP252 4.3 60.7 1.0 CD2 A:TRP252 4.4 61.4 1.0 NH2 A:ARG229 4.4 67.0 1.0 NE2 A:HIS209 4.5 56.3 1.0 OD1 A:ASP255 4.5 78.5 1.0 CE1 A:HIS209 4.6 56.5 1.0 O A:ASP251 4.8 64.2 1.0 C A:ASP251 4.8 65.1 1.0 NE1 A:TRP252 5.0 60.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Btb-Back Domains of Human KLHL11


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Btb-Back Domains of Human KLHL11 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1 b:83.8 occ:1.00 NH1 B:ARG109 4.0 67.7 1.0 O B:GLN90 4.3 36.7 1.0 CZ B:ARG109 4.3 65.7 1.0 C B:GLN90 4.4 34.9 1.0 N B:GLY91 4.6 37.5 1.0 CA B:GLY91 4.6 35.8 1.0 NE B:ARG109 4.7 63.1 1.0 NH2 B:ARG109 4.8 66.2 1.0 O B:HOH344 4.9 52.8 1.0 CD B:ARG109 4.9 54.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Btb-Back Domains of Human KLHL11


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Btb-Back Domains of Human KLHL11 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl3 b:74.7 occ:1.00 CG2 B:THR170 3.6 59.3 1.0 CB B:THR170 3.8 58.7 1.0 CA B:THR170 4.0 58.6 1.0 CD2 B:LEU196 4.1 56.1 1.0 CB B:LYS199 4.2 70.0 1.0 CE2 B:PHE195 4.3 55.2 1.0 CG1 B:VAL173 4.4 57.9 1.0 O B:THR170 4.4 57.5 1.0 CG B:LYS199 4.4 73.0 1.0 C B:THR170 4.7 58.2 1.0 CD2 B:PHE195 5.0 55.9 1.0

J.W.Murray, C.D.O.Cooper, T.Krojer, P.Mahajan, E.Salah, T.Keates, P.Savitsky, A.C.W.Pike, A.Roos, J.Muniz, F.Von Delft, C.Bountra, C.H.Arrowsmith, J.Weigelt, A.Edwards, S.Knapp, A.Bullock, Structural Genomics Consortium (Sgc). Crystal Structure of the Btb-Back Domains of Human KLHL11 To Be Published.