Chlorine 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:

Caesium

(Cs)

8 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 6 binding sites of Chlorine where determined in the P62PH in Cesium Chloride (0.7 M Cscl in Crystallization Condition and Cryo Protectant), PDB code: 7bmy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 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 Chlorine with other atoms in the Cl 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:Cl209 b:29.7 occ:0.88 O A:HOH370 2.6 32.0 1.0 NE A:ARG91 3.0 13.0 1.0 N A:GLY55 3.3 17.9 1.0 NH2 A:ARG91 3.4 12.7 1.0 CA A:PRO54 3.6 17.7 1.0 CZ A:ARG91 3.7 13.9 1.0 CB A:ARG91 3.9 13.9 1.0 CS A:CS201 4.0 25.4 0.3 C A:PRO54 4.0 19.6 1.0 CG A:ARG91 4.0 13.7 1.0 CD A:ARG91 4.1 13.8 1.0 CB A:PRO54 4.3 21.0 1.0 CG2 A:VAL59 4.3 14.4 1.0 CA A:GLY55 4.3 19.1 1.0 O A:HOH438 4.6 34.1 1.0 N A:PRO54 4.7 16.5 1.0 O A:PRO53 4.8 15.5 1.0 N A:SER56 4.9 14.2 1.0 NH1 A:ARG91 5.0 15.6 1.0 CG A:PRO54 5.0 20.4 1.0

Chlorine binding site 2 out of 6 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 Chlorine with other atoms in the Cl 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:Cl210 b:38.0 occ:1.00 OH A:TYR80 3.2 25.1 1.0 OE1 A:GLU65 3.2 31.3 1.0 OE2 A:GLU65 3.4 46.6 1.0 O A:SER40 3.5 22.9 1.0 NH2 A:ARG68 3.5 55.2 1.0 O A:HOH337 3.6 21.1 1.0 O A:HOH356 3.6 30.7 1.0 CD A:GLU65 3.7 34.4 1.0 CD1 A:LEU41 3.7 29.4 1.0 O A:HOH388 3.9 21.1 1.0 CZ A:TYR80 4.0 22.3 1.0 C A:SER40 4.4 21.1 1.0 CG A:LEU41 4.5 30.8 1.0 CA A:LEU41 4.6 18.1 1.0 CE1 A:TYR80 4.7 23.0 1.0 CZ A:ARG68 4.8 55.7 1.0 CE2 A:TYR80 4.8 22.7 1.0 N A:LEU41 4.9 16.0 1.0

Chlorine binding site 3 out of 6 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 Chlorine with other atoms in the Cl 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:Cl211 b:41.1 occ:0.84 O A:HOH419 2.9 45.0 1.0 NH2 A:ARG66 3.0 60.8 1.0 CS A:CS207 3.0 38.5 0.2 O A:ASP44 3.2 22.2 1.0 C A:ASP44 4.0 20.7 1.0 CZ A:ARG66 4.1 55.2 1.0 CA A:ASP44 4.1 19.7 0.5 CA A:ASP44 4.2 20.1 0.5 CB A:ASP44 4.4 22.5 0.5 NE A:ARG66 4.4 45.7 1.0 OD1 A:ASP44 4.6 29.1 0.5 O A:HOH430 4.7 38.3 1.0 CB A:ASP44 4.8 23.3 0.5 CG A:ASP44 5.0 24.8 0.5

Chlorine binding site 4 out of 6 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 Chlorine with other atoms in the Cl 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:Cl212 b:39.4 occ:1.00 O A:HOH348 2.5 34.1 1.0 OD1 A:ASP99 3.4 21.9 1.0 CG A:ASP99 4.2 22.5 1.0 O A:HOH304 4.2 34.1 1.0 O A:HOH305 4.5 24.7 1.0 NH2 A:ARG98 4.6 21.9 1.0 OD2 A:ASP99 4.6 24.6 1.0 NE A:ARG98 4.9 17.4 1.0 CZ A:ARG98 5.0 19.5 1.0

Chlorine binding site 5 out of 6 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 Chlorine with other atoms in the Cl 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:Cl213 b:46.4 occ:1.00 CS A:CS203 2.8 39.3 0.3 O A:PRO69 2.8 38.1 1.0 O A:ALA71 3.3 16.7 1.0 O A:HOH334 3.4 33.4 1.0 C A:PRO69 3.9 32.1 1.0 O A:HOH417 4.3 49.8 1.0 N A:ALA71 4.3 21.9 1.0 CA A:ASN70 4.3 33.2 1.0 C A:ALA71 4.4 16.6 1.0 C A:ASN70 4.4 28.7 1.0 N A:ASN70 4.5 33.7 1.0 O A:ARG68 4.8 22.9 1.0 CA A:ALA71 4.9 20.9 1.0

Chlorine binding site 6 out of 6 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 Chlorine with other atoms in the Cl 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:Cl214 b:45.5 occ:1.00 O A:HOH347 2.7 42.2 1.0 C A:ALA108 2.7 41.5 1.0 O A:ALA108 3.0 51.8 1.0 O A:HOH445 3.0 44.7 1.0 O A:ALA106 3.2 35.1 1.0 O A:LEU105 3.2 26.4 1.0 C A:ALA106 3.9 28.6 1.0 CA A:ALA108 4.0 38.1 1.0 CA A:ALA106 4.2 27.3 1.0 N A:ALA108 4.2 33.1 1.0 C A:LEU105 4.3 24.4 1.0 CS A:CS202 4.6 41.6 0.5 C A:ALA107 4.6 38.5 1.0 O A:HOH430 4.7 38.3 1.0 N A:ALA106 4.8 24.2 1.0 CB A:ALA108 4.8 34.6 1.0 N A:ALA107 4.8 29.4 1.0 O A:HOH432 4.8 40.0 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