Chlorine in PDB 7bmq: Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)

All present enzymatic activity of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant):
3.2.1.17;

The structure of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant), PDB code: 7bmq was solved by W.Koelmel, J.Kuper, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.38 / 1.79
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.753, 78.753, 36.812, 90, 90, 90
R / Rfree (%)	20.9 / 25.7

The structure of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) also contains other interesting chemical elements:

Caesium

(Cs)

15 atoms

The binding sites of Chlorine atom in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) (pdb code 7bmq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant), PDB code: 7bmq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:18.8 occ:1.00 OH A:TYR41 3.0 12.4 1.0 O A:HOH331 3.3 15.1 1.0 CZ A:TYR41 3.6 13.3 1.0 CE2 A:TYR41 3.7 13.3 1.0 CA A:GLY122 4.1 13.4 1.0 O A:ARG39 4.6 17.4 1.0 N A:GLY122 4.7 13.1 1.0 CE1 A:TYR41 4.9 13.8 1.0 CD2 A:TYR41 4.9 12.8 1.0

Chlorine binding site 2 out of 3 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:31.1 occ:0.97 CE2 A:PHE56 3.7 12.5 1.0 NZ A:LYS51 3.7 20.8 1.0 CZ3 A:TRP141 3.9 19.1 1.0 CG A:ARG23 4.0 21.1 1.0 CD A:ARG23 4.0 19.8 1.0 CE A:LYS51 4.3 18.9 1.0 CZ A:PHE56 4.4 12.8 1.0 CB A:ARG23 4.5 20.2 1.0 CD A:LYS51 4.5 15.6 1.0 CD2 A:PHE56 4.7 13.3 1.0 CE3 A:TRP141 4.8 18.2 1.0 NE A:ARG23 4.8 20.0 1.0 O A:HOH414 4.8 34.6 1.0 CH2 A:TRP141 4.8 16.9 1.0

Chlorine binding site 3 out of 3 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:41.6 occ:1.00 CS A:CS213 2.9 39.5 0.3 O A:HOH408 3.1 30.0 1.0 O A:HOH422 3.5 34.9 1.0 O A:HOH315 3.6 29.4 1.0 O A:HOH386 3.9 30.7 0.5 O A:HOH383 4.0 8.9 1.0 O A:GLY85 4.4 18.7 1.0 CS A:CS205 4.4 31.1 0.4 C A:GLY85 4.9 15.3 1.0

W.Koelmel, J.Kuper, C.Kisker. Cesium Based Phasing of Macromolecules: A General Easy to Use Approach For Solving the Phase Problem. Sci Rep V. 11 17038 2021.
ISSN: ESSN 2045-2322
PubMed: 34426585
DOI: 10.1038/S41598-021-95186-1