Chlorine in PDB 4uij: Crystal Structure of the Btb Domain of KCTD13

The structure of Crystal Structure of the Btb Domain of KCTD13, PDB code: 4uij was solved by D.M.Pinkas, C.E.Sanvitale, F.J.Sorell, N.Solcan, S.Goubin, P.Canning, E.Williams, A.Chaikuad, S.E.Dixon Clarke, C.Tallant, M.Fonseca, R.Chalk, J.Doutch, T.Krojer, N.A.Burgess-Brown, F.Von Delft, C.H.Arrowsmith, A.M.Edwards, C.Bountra, A.Bullock, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.42 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.450, 58.830, 87.170, 90.00, 105.41, 90.00
R / Rfree (%)	23.5 / 27.9

The binding sites of Chlorine atom in the Crystal Structure of the Btb Domain of KCTD13 (pdb code 4uij). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Btb Domain of KCTD13, PDB code: 4uij:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Btb Domain of KCTD13


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 Domain of KCTD13 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1144 b:74.5 occ:1.00 H A:THR111 3.0 73.1 1.0 HA A:SER110 3.2 73.0 1.0 HB2 A:SER110 3.7 68.5 1.0 N A:THR111 3.8 60.9 1.0 OG1 A:THR111 4.0 57.2 1.0 CA A:SER110 4.1 60.9 1.0 HB A:THR111 4.1 66.2 1.0 HG1 A:THR111 4.2 68.7 1.0 CB A:SER110 4.3 57.1 1.0 HB3 C:GLU109 4.4 65.5 1.0 HG3 C:GLU109 4.4 73.0 1.0 C A:SER110 4.5 57.3 1.0 CB A:THR111 4.5 55.2 1.0 HB3 A:SER110 4.6 68.5 1.0 OE1 C:GLU109 4.6 53.1 1.0 HB2 C:GLU109 4.7 65.5 1.0 CA A:THR111 4.8 56.6 1.0 H A:ARG112 4.9 53.9 1.0 OE1 A:GLU109 4.9 81.5 1.0 CB C:GLU109 4.9 54.6 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Btb Domain of KCTD13


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 Domain of KCTD13 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1144 b:86.6 occ:1.00 HZ2 B:LYS140 2.6 0.7 1.0 H B:THR111 2.6 87.9 1.0 HA B:SER110 3.2 89.5 1.0 N B:THR111 3.5 73.3 1.0 NZ B:LYS140 3.5 95.5 1.0 OG1 B:THR111 3.5 72.2 1.0 HG1 B:THR111 3.7 86.6 1.0 HE2 B:LYS140 3.7 0.4 1.0 HB B:THR111 3.8 83.9 1.0 HE3 B:LYS140 3.8 0.4 1.0 HB2 B:SER110 3.8 86.1 1.0 HZ1 B:LYS140 3.9 0.7 1.0 CE B:LYS140 3.9 89.5 1.0 HZ3 B:LYS140 4.0 0.7 1.0 CA B:SER110 4.0 74.6 1.0 CB B:THR111 4.1 69.9 1.0 C B:SER110 4.2 73.7 1.0 CA B:THR111 4.4 70.3 1.0 CB B:SER110 4.4 71.8 1.0 H B:ARG112 4.7 80.0 1.0 HB3 D:GLU109 4.8 74.8 1.0 HB3 B:SER110 4.8 86.1 1.0 OE1 D:GLU109 4.8 60.6 1.0 O B:GLU109 4.9 80.9 1.0 OE1 B:GLU109 4.9 90.6 1.0 HA B:THR111 5.0 84.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Btb Domain of KCTD13


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 Domain of KCTD13 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1143 b:73.8 occ:1.00 H C:THR111 2.6 79.1 1.0 OG1 C:THR111 3.3 72.4 1.0 HG1 C:THR111 3.4 86.9 1.0 HA C:SER110 3.5 73.4 1.0 N C:THR111 3.5 65.9 1.0 HB C:THR111 3.5 79.8 1.0 CB C:THR111 3.9 66.5 1.0 HB2 C:SER110 4.2 79.4 1.0 CA C:SER110 4.3 61.1 1.0 CA C:THR111 4.3 67.3 1.0 C C:SER110 4.4 61.6 1.0 H C:ARG112 4.6 73.9 1.0 CB C:SER110 4.8 66.2 1.0 HA C:THR111 4.9 80.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Btb Domain of KCTD13


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Btb Domain of KCTD13 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1142 b:80.5 occ:1.00 H D:THR111 2.6 95.6 1.0 HA D:SER110 3.1 90.1 1.0 N D:THR111 3.5 79.7 1.0 HB2 D:SER110 3.6 87.3 1.0 OG1 D:THR111 3.8 96.2 1.0 CA D:SER110 3.9 75.1 1.0 HB D:THR111 3.9 0.4 1.0 HG1 D:THR111 4.0 0.5 1.0 CB D:SER110 4.2 72.8 1.0 C D:SER110 4.2 79.0 1.0 CB D:THR111 4.3 89.5 1.0 O D:HOH2004 4.4 53.9 1.0 H D:ARG112 4.5 93.8 1.0 CA D:THR111 4.5 83.5 1.0 HB3 D:SER110 4.5 87.3 1.0 O D:GLU109 5.0 72.3 1.0

D.M.Pinkas, C.E.Sanvitale, J.C.Bufton, F.J.Sorrell, N.Solcan, R.Chalk, J.Doutch, A.N.Bullock. Structural Complexity in the Kctd Family of CULLIN3-Dependent E3 Ubiquitin Ligases. Biochem. J. V. 474 3747 2017.
ISSN: ESSN 1470-8728
PubMed: 28963344
DOI: 10.1042/BCJ20170527