Chlorine in PDB 7guq: Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 21.14 Mgy X-Ray Dose.

The structure of Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 21.14 Mgy X-Ray Dose., PDB code: 7guq was solved by M.J.Rodrigues, Y.V.Le Bihan, R.L.M.Van Montfort, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.86 / 1.80
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.57, 67.57, 166.07, 90, 90, 120
R / Rfree (%)	17.9 / 20.7

The binding sites of Chlorine atom in the Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 21.14 Mgy X-Ray Dose. (pdb code 7guq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 21.14 Mgy X-Ray Dose., PDB code: 7guq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 21.14 Mgy X-Ray Dose.


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 B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 21.14 Mgy X-Ray Dose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:29.2 occ:0.99 CL1 A:7ZO201 0.0 29.2 1.0 C9 A:7ZO201 1.7 28.5 1.0 C4 A:7ZO201 2.7 31.0 1.0 C10 A:7ZO201 2.7 28.8 1.0 N16 A:7ZO201 3.1 26.4 1.0 O A:MET51 3.3 26.3 1.0 C A:MET51 3.4 25.8 1.0 N A:ALA52 3.6 22.3 1.0 CA A:ALA52 3.6 22.7 1.0 CD1 A:TYR58 3.6 34.5 1.0 CB A:MET51 3.8 23.6 1.0 N13 A:7ZO201 4.0 32.9 1.0 N14 A:7ZO201 4.0 32.1 1.0 CE1 A:TYR58 4.1 36.9 1.0 CA A:MET51 4.2 21.7 1.0 C5 A:7ZO201 4.4 33.0 1.0 C8 A:7ZO201 4.4 28.0 1.0 CB A:ALA52 4.5 22.6 1.0 CG A:TYR58 4.6 32.8 1.0 C A:ALA52 4.7 25.6 1.0 CB A:TYR58 4.8 28.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 21.14 Mgy X-Ray Dose.


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 B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 21.14 Mgy X-Ray Dose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:37.7 occ:1.00 O A:HOH326 2.9 52.6 1.0 O A:HOH356 3.1 33.1 1.0 N A:HIS116 3.5 31.4 1.0 N A:VAL117 3.6 28.6 1.0 CB A:HIS116 3.6 34.6 1.0 C A:MET114 3.7 32.9 1.0 CB A:MET114 3.8 27.0 1.0 CG2 A:VAL117 3.8 28.8 1.0 CA A:MET114 3.8 26.5 1.0 CA A:HIS116 3.9 33.1 1.0 O A:MET114 3.9 31.6 1.0 CE2 A:PHE89 4.0 28.6 1.0 N A:GLU115 4.1 32.4 1.0 C A:HIS116 4.2 35.0 1.0 CG A:HIS116 4.3 39.4 1.0 CD2 A:HIS116 4.3 40.9 1.0 CB A:VAL117 4.4 30.2 1.0 CZ A:PHE89 4.5 26.9 1.0 C A:GLU115 4.5 35.9 1.0 CA A:VAL117 4.6 28.3 1.0 CE A:MET114 4.6 26.9 1.0 CG A:MET114 4.7 28.3 1.0 O A:CYS53 4.7 26.4 1.0 O17 A:7ZO201 4.8 36.6 1.0 CA A:GLU115 4.9 34.7 1.0

M.J.Rodrigues, M.Cabry, G.Collie, M.Carter, C.Mcandrew, R.L.Owen, B.R.Bellenie, Y.V.Le Bihan, R.L.M.Van Montfort. Specific Radiation Damage to Halogenated Inhibitors and Ligands in Protein-Ligand Crystal Structures. J.Appl.Crystallogr. V. 57 1951 2024.
ISSN: ISSN 0021-8898
PubMed: 39628887
DOI: 10.1107/S1600576724010549