Chlorine in PDB 7bmu: P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer)

The structure of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer), PDB code: 7bmu 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)	53.26 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.462, 106.517, 75.899, 90, 90, 90
R / Rfree (%)	16.2 / 22.4

The structure of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer) also contains other interesting chemical elements:

Potassium	(K)	1 atom
Caesium	(Cs)	1 atom

The binding sites of Chlorine atom in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer) (pdb code 7bmu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer), PDB code: 7bmu:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:36.7 occ:0.90 O A:HOH370 2.7 32.5 1.0 NE A:ARG91 3.1 22.3 1.0 N A:GLY55 3.3 28.2 1.0 CA A:PRO54 3.4 27.9 1.0 NH2 A:ARG91 3.5 21.4 1.0 CZ A:ARG91 3.8 23.2 1.0 C A:PRO54 3.9 28.6 1.0 CB A:PRO54 4.0 34.1 1.0 CG A:ARG91 4.0 24.4 1.0 CB A:ARG91 4.0 21.1 1.0 CD A:ARG91 4.1 23.9 1.0 CG2 A:VAL59 4.4 21.4 1.0 CA A:GLY55 4.4 28.6 1.0 O A:HOH419 4.6 39.8 1.0 N A:PRO54 4.6 25.3 1.0 CG A:PRO54 4.8 33.6 1.0 O A:PRO53 4.8 25.7 1.0 N A:SER56 4.9 21.9 1.0

Chlorine binding site 2 out of 3 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:42.0 occ:0.79 NH2 A:ARG5 3.2 32.2 1.0 NH1 A:ARG5 3.6 31.9 1.0 O A:HOH447 3.7 53.9 1.0 CZ A:ARG5 3.9 31.2 1.0 CG1 A:ILE16 4.1 19.9 1.0 O A:PRO32 4.1 35.2 1.0 CD1 A:ILE16 4.2 21.2 1.0 CB A:ALA33 4.2 26.3 1.0 O A:HOH362 4.5 58.0 1.0 CD2 A:LEU31 4.6 31.4 1.0

Chlorine binding site 3 out of 3 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:41.9 occ:0.75 N A:GLU21 3.1 24.7 1.0 O A:HOH397 3.5 27.6 1.0 CB A:GLU21 3.7 22.9 0.2 CB A:GLU21 3.7 37.1 0.8 CA A:THR20 3.8 22.8 1.0 CB A:THR20 3.8 22.8 1.0 C A:THR20 3.9 22.6 1.0 CA A:GLU21 4.0 24.4 0.2 CA A:GLU21 4.0 31.1 0.8 CG A:GLU21 4.0 47.7 0.8 O A:HOH439 4.0 53.3 1.0 CG2 A:THR20 4.2 23.7 1.0 OE2 A:GLU21 4.3 74.4 0.8 O A:HOH393 4.4 40.4 1.0 O A:HOH311 4.4 21.0 1.0 CD A:GLU21 4.4 59.3 0.8

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