Caesium in PDB 7bmx: P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)

The structure of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant), PDB code: 7bmx 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)	43.56 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.274, 106.783, 75.319, 90, 90, 90
R / Rfree (%)	18.4 / 21.6

The structure of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Caesium atom in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) (pdb code 7bmx). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 8 binding sites of Caesium where determined in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant), PDB code: 7bmx:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Caesium binding site 1 out of 8 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs201 b:28.9 occ:0.34 O A:HOH356 2.9 31.7 1.0 O A:SER56 3.1 16.9 1.0 O A:ALA57 3.8 15.6 1.0 CG2 A:VAL59 4.0 15.0 1.0 CL A:CL209 4.0 29.6 1.0 C A:ALA57 4.2 14.9 1.0 C A:SER56 4.3 15.2 1.0 N A:LYS58 4.6 15.2 1.0 C A:LYS58 4.6 16.4 1.0 N A:VAL59 4.6 15.4 1.0 CA A:LYS58 4.7 15.9 1.0 CA A:ALA57 4.9 14.0 1.0 N A:SER56 4.9 16.2 1.0

Caesium binding site 2 out of 8 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs202 b:39.5 occ:0.67 O A:ALA107 3.3 44.9 1.0 O A:ALA106 3.3 41.1 1.0 C A:ALA107 3.7 45.3 1.0 CA A:ALA107 4.1 39.9 1.0 C A:ALA108 4.3 46.9 1.0 O A:HOH396 4.3 39.8 1.0 C A:ALA106 4.4 37.6 1.0 O A:ALA108 4.4 45.9 1.0 N A:ALA108 4.4 38.7 1.0 N A:ALA107 4.7 37.8 1.0 CA A:ALA108 4.8 45.8 1.0

Caesium binding site 3 out of 8 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs203 b:44.3 occ:0.36 O A:ARG68 3.2 29.8 1.0 O A:ALA71 3.3 20.0 1.0 O A:PRO69 3.7 42.5 1.0 N A:ALA71 3.9 25.8 1.0 C A:ALA71 4.0 21.6 1.0 CB A:ALA71 4.0 23.8 1.0 CA A:ALA71 4.2 25.7 1.0 C A:PRO69 4.2 38.5 1.0 O A:HOH344 4.3 32.4 1.0 CB A:PRO67 4.3 28.5 1.0 C A:ARG68 4.4 37.6 1.0 O A:HOH411 4.5 35.5 1.0 C A:ASN70 4.7 38.3 1.0 N A:ASN70 4.8 39.2 1.0 CA A:PRO69 4.8 41.2 1.0 CA A:ASN70 4.9 43.2 1.0

Caesium binding site 4 out of 8 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs204 b:44.8 occ:0.43 O A:ARG5 3.1 20.6 1.0 OE2 A:GLU93 3.2 28.0 1.0 O A:HOH425 3.3 38.2 1.0 O A:HOH384 3.4 33.4 1.0 O A:HOH319 3.7 21.9 1.0 CD A:GLU93 3.9 25.9 1.0 O A:HOH365 3.9 36.6 1.0 C A:ARG5 4.2 20.0 1.0 OE1 A:GLU93 4.3 29.4 1.0 CG A:GLU93 4.7 20.6 1.0 CA A:SER6 4.7 17.4 1.0 OG A:SER6 4.7 22.4 1.0 N A:ARG5 4.8 22.6 1.0 N A:SER6 4.9 17.8 1.0

Caesium binding site 5 out of 8 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs205 b:45.0 occ:0.38 O A:HOH402 2.5 49.5 1.0 O A:THR47 2.8 18.6 1.0 O A:HOH390 3.4 41.7 1.0 C A:THR47 3.8 22.3 1.0 O A:HOH330 4.1 31.4 1.0 CA A:THR47 4.3 19.4 1.0 CB A:THR47 4.6 20.1 1.0 N A:ASN48 5.0 19.2 1.0

Caesium binding site 6 out of 8 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs206 b:48.9 occ:0.31 O A:HOH392 2.8 46.0 1.0 O A:GLN79 2.8 15.9 1.0 OH A:TYR10 3.2 19.5 1.0 O A:HOH357 3.5 38.2 1.0 O A:HOH372 3.9 14.8 1.0 C A:GLN79 4.0 16.6 1.0 CD2 A:TYR80 4.1 20.1 1.0 CE2 A:TYR80 4.2 25.2 1.0 CZ A:TYR10 4.2 20.3 1.0 O A:HOH401 4.4 41.5 1.0 CE1 A:TYR10 4.5 16.8 1.0 NZ A:LYS11 4.5 47.4 1.0 CA A:TYR80 4.6 15.6 1.0 CG A:TYR80 4.6 17.6 1.0 O A:HOH314 4.7 30.0 1.0 N A:TYR80 4.8 15.0 1.0 CZ A:TYR80 4.8 24.5 1.0 N A:GLN79 4.8 16.2 1.0 CD A:LYS11 4.9 30.4 1.0

Caesium binding site 7 out of 8 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs207 b:41.3 occ:0.27 O A:HOH305 2.8 46.1 1.0 O A:HOH386 2.8 32.7 1.0 O A:ILE46 2.9 21.1 1.0 O A:HOH394 3.0 43.2 1.0 O A:LEU43 3.1 18.9 1.0 O A:HOH330 3.5 31.4 1.0 O A:ASP44 3.5 21.4 1.0 C A:ASP44 3.8 22.5 1.0 CA A:ASP44 3.9 21.2 0.3 CA A:ASP44 4.0 22.8 0.7 CD2 A:LEU105 4.1 30.2 1.0 C A:ILE46 4.1 18.7 1.0 C A:LEU43 4.2 21.4 1.0 N A:ILE46 4.2 17.7 1.0 O A:HOH402 4.4 49.5 1.0 N A:ASN45 4.5 20.4 1.0 N A:ASP44 4.6 21.8 1.0 CA A:ILE46 4.6 18.2 1.0 C A:ASN45 4.9 19.4 1.0 CB A:ILE46 5.0 18.3 1.0

Caesium binding site 8 out of 8 in the P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of P62PH in Cesium Chloride (0.25 M Cscl in Protein Buffer and 0.75 M Cscl in Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs208 b:44.6 occ:0.33 O A:HOH408 3.0 34.3 1.0 OG1 A:THR85 3.2 15.7 1.0 O A:HOH397 3.4 38.7 1.0 OE1 A:GLN7 3.4 37.0 1.0 O A:THR85 3.5 16.3 1.0 CB A:THR85 3.7 16.1 1.0 C A:THR85 4.0 17.3 1.0 O A:HOH331 4.2 21.3 1.0 CD A:GLN7 4.3 31.3 1.0 CB A:GLN7 4.3 21.6 1.0 O A:HOH325 4.4 27.8 1.0 CA A:THR85 4.5 15.1 1.0 CG A:GLN7 4.7 25.9 1.0 N A:HIS86 4.7 17.8 1.0 O A:HOH377 4.9 25.9 1.0 CG2 A:THR85 4.9 18.4 1.0 CA A:HIS86 5.0 18.1 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