Caesium in PDB 7bmy: P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and Cryo Protectant)

The structure of P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and Cryo Protectant), PDB code: 7bmy 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)	43.67 / 1.80
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.426, 106.791, 75.87, 90, 90, 90
R / Rfree (%)	18.3 / 21.5

The structure of P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and Cryo Protectant) also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Caesium atom in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and Cryo Protectant) (pdb code 7bmy). 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant), PDB code: 7bmy:
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 (0.7 M Cscl in Crystallization Condition and 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs201 b:25.4 occ:0.27 O A:HOH370 2.7 32.0 1.0 O A:SER56 3.0 13.9 1.0 O A:ALA57 3.8 16.1 1.0 CL A:CL209 4.0 29.7 0.9 CG2 A:VAL59 4.1 14.4 1.0 C A:ALA57 4.1 12.7 1.0 C A:SER56 4.2 13.6 1.0 N A:LYS58 4.6 12.1 1.0 N A:VAL59 4.6 11.0 1.0 C A:LYS58 4.7 11.8 1.0 CA A:ALA57 4.8 12.2 1.0 CA A:LYS58 4.8 13.5 1.0 N A:SER56 5.0 14.2 1.0

Caesium binding site 2 out of 8 in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs202 b:41.6 occ:0.47 O A:ALA107 3.0 38.9 1.0 O A:ALA106 3.4 35.1 1.0 O A:HOH347 3.5 42.2 1.0 C A:ALA107 3.7 38.5 1.0 O A:ALA108 3.9 51.8 1.0 O A:HOH418 4.0 37.3 1.0 CA A:ALA107 4.2 34.2 1.0 C A:ALA106 4.4 28.6 1.0 C A:ALA108 4.5 41.5 1.0 N A:ALA108 4.6 33.1 1.0 CL A:CL214 4.6 45.5 1.0 N A:ALA107 4.8 29.4 1.0 CA A:ALA108 4.9 38.1 1.0

Caesium binding site 3 out of 8 in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs203 b:39.3 occ:0.27 O A:HOH334 2.8 33.4 1.0 CL A:CL213 2.8 46.4 1.0 O A:ALA71 3.3 16.7 1.0 O A:ARG68 3.4 22.9 1.0 O A:PRO69 3.9 38.1 1.0 C A:ALA71 4.1 16.6 1.0 N A:ALA71 4.1 21.9 1.0 O A:HOH359 4.1 28.2 1.0 CB A:ALA71 4.2 20.1 1.0 CB A:PRO67 4.3 25.0 1.0 CA A:ALA71 4.3 20.9 1.0 C A:PRO69 4.5 32.1 1.0 C A:ARG68 4.7 33.6 1.0 C A:ASN70 5.0 28.7 1.0 CA A:PRO69 5.0 38.2 1.0

Caesium binding site 4 out of 8 in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs204 b:47.2 occ:0.37 O A:HOH303 2.9 33.9 1.0 O A:ARG5 3.2 17.5 1.0 O A:HOH467 3.2 33.7 1.0 O A:HOH413 3.2 29.1 1.0 OE2 A:GLU93 3.4 25.3 1.0 O A:HOH312 3.6 20.5 1.0 O A:HOH400 3.9 38.2 1.0 CD A:GLU93 3.9 24.5 1.0 C A:ARG5 4.3 16.8 1.0 OE1 A:GLU93 4.4 26.9 1.0 CG A:GLU93 4.5 18.1 1.0 CA A:SER6 4.7 15.1 1.0 N A:ARG5 4.8 19.4 1.0 OG A:SER6 4.9 21.5 1.0 O A:HOH465 4.9 28.9 1.0 N A:SER6 5.0 14.2 1.0

Caesium binding site 5 out of 8 in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs205 b:43.3 occ:0.36 O A:THR47 2.8 17.2 1.0 O A:HOH442 3.6 33.3 1.0 C A:THR47 3.9 17.3 1.0 O A:HOH342 3.9 28.4 1.0 CA A:THR47 4.4 18.1 1.0 CB A:THR47 4.8 18.1 1.0 N A:ASN48 4.9 14.9 1.0

Caesium binding site 6 out of 8 in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs206 b:39.2 occ:0.24 O A:GLN79 2.8 14.9 1.0 O A:HOH429 3.0 42.8 1.0 OH A:TYR10 3.2 15.3 1.0 O A:HOH428 3.5 39.5 1.0 O A:HOH389 3.8 32.5 1.0 O A:HOH406 3.9 10.5 1.0 CD2 A:TYR80 3.9 16.3 1.0 CE2 A:TYR80 4.0 22.7 1.0 C A:GLN79 4.1 14.9 1.0 CZ A:TYR10 4.2 15.6 1.0 NZ A:LYS11 4.3 38.5 1.0 O A:HOH307 4.4 28.1 1.0 CE A:LYS11 4.4 34.1 1.0 CE1 A:TYR10 4.5 13.6 1.0 CG A:TYR80 4.5 16.3 1.0 CA A:TYR80 4.6 13.9 1.0 O A:HOH431 4.6 34.5 1.0 CZ A:TYR80 4.7 22.3 1.0 N A:TYR80 4.8 13.2 1.0 CD A:LYS11 4.9 27.7 1.0 N A:GLN79 4.9 14.0 1.0

Caesium binding site 7 out of 8 in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs207 b:38.5 occ:0.25 O A:ILE46 2.9 18.1 1.0 CL A:CL211 3.0 41.1 0.8 O A:HOH430 3.1 38.3 1.0 O A:LEU43 3.2 17.9 1.0 O A:ASP44 3.6 22.2 1.0 O A:HOH342 3.8 28.4 1.0 NH2 A:ARG66 3.9 60.8 1.0 C A:ASP44 3.9 20.7 1.0 CA A:ASP44 4.0 19.7 0.5 C A:ILE46 4.1 17.3 1.0 CA A:ASP44 4.2 20.1 0.5 CD2 A:LEU105 4.2 24.2 1.0 N A:ILE46 4.2 13.8 1.0 C A:LEU43 4.3 17.4 1.0 CA A:ILE46 4.6 16.4 1.0 N A:ASN45 4.6 18.8 1.0 N A:ASP44 4.7 19.5 1.0 CZ A:ARG66 4.8 55.2 1.0 C A:ASN45 4.9 16.6 1.0 CB A:ILE46 5.0 16.0 1.0

Caesium binding site 8 out of 8 in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and 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 (0.7 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs208 b:42.2 occ:0.26 O A:HOH441 3.1 28.3 1.0 OG1 A:THR85 3.2 13.4 1.0 OE1 A:GLN7 3.3 27.7 1.0 O A:THR85 3.4 11.7 1.0 O A:HOH308 3.5 37.6 1.0 CB A:THR85 3.7 13.3 1.0 C A:THR85 3.9 12.6 1.0 O A:HOH329 4.3 21.4 1.0 CD A:GLN7 4.3 24.3 1.0 CB A:GLN7 4.3 15.5 1.0 CA A:THR85 4.4 11.9 1.0 O A:HOH336 4.5 23.2 1.0 N A:HIS86 4.5 12.7 1.0 CG A:GLN7 4.7 19.4 1.0 O A:HOH386 4.8 18.7 1.0 CA A:HIS86 4.8 14.3 1.0 OE2 A:GLU14 4.9 43.4 1.0 CD A:PRO87 4.9 20.2 1.0 CG2 A:THR85 5.0 12.7 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