Chlorine in PDB 7gup: Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 19.63 Mgy X-Ray Dose.

The structure of Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 19.63 Mgy X-Ray Dose., PDB code: 7gup 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)	33.91 / 1.80
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	67.6, 67.6, 166.36, 90, 90, 120
R / Rfree (%)	18 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of B-Cell Lymphoma 6 Protein Btb Domain in Complex with Ligand 1 at 19.63 Mgy X-Ray Dose. (pdb code 7gup). 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 19.63 Mgy X-Ray Dose., PDB code: 7gup:
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 19.63 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 19.63 Mgy X-Ray Dose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:29.4 occ:0.99 CL1 A:7ZO201 0.0 29.4 1.0 C9 A:7ZO201 1.7 27.6 1.0 C4 A:7ZO201 2.7 29.9 1.0 C10 A:7ZO201 2.7 29.0 1.0 N16 A:7ZO201 3.1 26.1 1.0 O A:MET51 3.3 25.7 1.0 C A:MET51 3.4 25.9 1.0 N A:ALA52 3.6 23.0 1.0 CA A:ALA52 3.6 23.7 1.0 CD1 A:TYR58 3.6 33.9 1.0 CB A:MET51 3.8 25.4 1.0 N13 A:7ZO201 4.0 33.9 1.0 N14 A:7ZO201 4.0 31.3 1.0 CE1 A:TYR58 4.1 36.0 1.0 CA A:MET51 4.3 22.9 1.0 C5 A:7ZO201 4.4 31.9 1.0 C8 A:7ZO201 4.4 29.1 1.0 CB A:ALA52 4.5 23.3 1.0 CG A:TYR58 4.6 32.5 1.0 C A:ALA52 4.7 27.3 1.0 CB A:TYR58 4.9 27.9 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 19.63 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 19.63 Mgy X-Ray Dose. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:38.8 occ:1.00 O A:HOH329 2.9 54.0 1.0 O A:HOH354 3.1 34.5 1.0 N A:HIS116 3.4 32.2 1.0 CB A:HIS116 3.5 35.4 1.0 N A:VAL117 3.6 29.7 1.0 C A:MET114 3.6 32.7 1.0 CB A:MET114 3.8 27.3 1.0 CG2 A:VAL117 3.8 29.5 1.0 CA A:MET114 3.8 26.5 1.0 CA A:HIS116 3.8 34.0 1.0 O A:MET114 3.9 30.6 1.0 CE2 A:PHE89 4.0 29.3 1.0 N A:GLU115 4.1 33.3 1.0 C A:HIS116 4.2 35.5 1.0 CG A:HIS116 4.3 40.3 1.0 CD2 A:HIS116 4.4 41.5 1.0 CB A:VAL117 4.4 30.6 1.0 C A:GLU115 4.5 36.9 1.0 CZ A:PHE89 4.5 27.5 1.0 CA A:VAL117 4.6 29.3 1.0 CE A:MET114 4.6 27.7 1.0 CG A:MET114 4.6 28.7 1.0 O A:CYS53 4.7 26.2 1.0 CA A:GLU115 4.8 35.7 1.0 O17 A:7ZO201 4.9 37.0 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