Chlorine in PDB 7bmo: Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer)

The structure of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer), PDB code: 7bmo 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)	39.31 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	78.628, 78.628, 36.755, 90, 90, 90
R / Rfree (%)	20.8 / 25.4

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

Sodium

(Na)

1 atom

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

Chlorine binding site 1 out of 8 in the Hewl 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:20.6 occ:1.00 OH A:TYR41 3.0 18.0 1.0 O A:HOH365 3.3 16.5 1.0 CZ A:TYR41 3.6 17.1 1.0 CE2 A:TYR41 3.6 17.4 1.0 CA A:GLY122 4.1 18.2 1.0 O A:ARG39 4.6 19.8 1.0 N A:GLY122 4.7 17.4 1.0 CE1 A:TYR41 4.8 16.7 1.0 CD2 A:TYR41 4.9 17.9 1.0 NH1 A:ARG39 4.9 31.5 0.5 O A:HOH309 5.0 20.2 1.0

Chlorine binding site 2 out of 8 in the Hewl 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:28.8 occ:0.86 NZ A:LYS51 3.6 26.2 1.0 O A:HOH392 3.7 51.4 1.0 CE2 A:PHE56 3.7 22.8 1.0 CZ3 A:TRP141 3.8 25.9 1.0 CE A:LYS51 4.1 24.1 1.0 CD A:LYS51 4.2 22.0 1.0 CD A:ARG23 4.2 26.4 1.0 CZ A:PHE56 4.3 20.9 1.0 CB A:ARG23 4.4 25.0 1.0 CE3 A:TRP141 4.6 24.6 1.0 CD2 A:PHE56 4.7 22.8 1.0 CH2 A:TRP141 4.7 25.7 1.0 CG A:ARG23 4.8 25.6 1.0 NE A:ARG23 4.8 28.0 1.0 O2 A:EDO211 4.8 47.8 1.0

Chlorine binding site 3 out of 8 in the Hewl 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:23.4 occ:0.95 O A:HOH400 3.0 30.8 1.0 O A:HOH350 3.1 16.8 1.0 O A:HOH413 3.2 30.9 1.0 N A:THR87 3.2 20.2 1.0 O A:THR87 3.2 22.2 1.0 O A:HOH320 3.5 32.0 1.0 N A:ARG86 3.6 23.0 1.0 C A:GLY85 3.6 23.0 1.0 C A:THR87 3.6 23.7 1.0 CA A:GLY85 3.6 22.8 1.0 OG A:SER90 3.7 25.7 1.0 N A:GLY85 3.7 22.9 1.0 OD1 A:ASN83 3.8 22.1 1.0 CA A:THR87 3.8 20.9 1.0 O A:HOH369 4.0 19.6 1.0 CB A:THR87 4.1 20.6 1.0 O A:GLY85 4.2 22.5 1.0 C A:ARG86 4.2 22.2 1.0 OD1 A:ASP84 4.2 18.0 1.0 CA A:ARG86 4.4 23.7 1.0 N A:PRO88 4.5 23.9 1.0 O A:HOH355 4.6 28.7 0.5 NA A:NA209 4.6 23.8 1.0 CB A:SER90 4.8 23.4 1.0 OG1 A:THR87 4.8 20.4 1.0 C A:ASP84 4.8 21.7 1.0 CG A:ASN83 4.9 21.3 1.0 N A:ASP84 5.0 17.2 1.0 CA A:PRO88 5.0 24.0 1.0

Chlorine binding site 4 out of 8 in the Hewl 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 4 of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:39.5 occ:0.59 O A:HOH412 3.4 33.8 1.0 ND2 A:ASN92 3.4 22.9 1.0 CB A:ASN83 3.8 20.5 1.0 CB A:ASN92 3.8 23.5 1.0 CG A:ASN83 3.9 21.3 1.0 CG A:ASN92 4.2 23.3 1.0 OD1 A:ASN83 4.2 22.1 1.0 O A:HOH369 4.4 19.6 1.0 ND2 A:ASN83 4.5 23.3 1.0 O A:HOH320 4.8 32.0 1.0

Chlorine binding site 5 out of 8 in the Hewl 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 5 of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:29.9 occ:0.81 O A:HOH396 3.1 23.0 1.0 ND2 A:ASN83 3.3 23.3 1.0 CB A:PRO97 3.6 20.4 1.0 CA A:PRO97 3.7 21.6 1.0 CB A:ASN83 3.9 20.5 1.0 N A:PRO97 4.0 21.4 1.0 CG A:ASN83 4.1 21.3 1.0 CD A:PRO97 4.2 22.4 1.0 O A:ASN83 4.3 17.0 1.0 CG A:PRO97 4.3 23.0 1.0 C A:ILE96 4.5 21.4 1.0 O A:ILE96 4.6 17.9 1.0 ND2 A:ASN92 4.9 22.9 1.0 C A:ASN83 4.9 17.3 1.0 CA A:ASN83 4.9 19.6 1.0 O A:HOH387 5.0 49.7 1.0

Chlorine binding site 6 out of 8 in the Hewl 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 6 of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:28.3 occ:0.77 N A:ILE106 3.4 23.8 1.0 O A:HOH401 3.4 38.8 1.0 O A:HOH324 3.5 32.7 1.0 CG1 A:ILE106 3.8 23.7 1.0 CA A:ASP105 3.9 26.1 1.0 CE1 A:HIS33 3.9 27.5 1.0 OD1 A:ASP105 4.0 28.3 1.0 O A:SER104 4.1 26.4 1.0 CB A:ALA29 4.1 21.9 1.0 C A:ASP105 4.1 23.4 1.0 CZ A:PHE21 4.2 20.1 1.0 CG2 A:ILE106 4.3 24.3 1.0 CB A:ILE106 4.3 22.8 1.0 CA A:ILE106 4.4 22.3 1.0 CG A:ASP105 4.5 31.0 1.0 ND1 A:HIS33 4.6 29.0 1.0 CB A:ASP105 4.7 29.6 1.0 CD1 A:ILE106 4.7 23.7 1.0 CE2 A:PHE21 4.8 21.6 1.0 NE2 A:HIS33 4.8 28.2 1.0 N A:ASP105 4.8 23.4 1.0 C A:SER104 4.9 23.9 1.0

Chlorine binding site 7 out of 8 in the Hewl 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 7 of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:32.5 occ:0.78 N A:ASN92 3.1 21.2 1.0 NE A:ARG91 3.2 27.1 1.0 CB A:ARG91 3.8 23.5 1.0 C A:ASN92 3.8 22.1 1.0 CA A:ARG91 3.9 22.1 1.0 CD A:ARG91 3.9 26.1 1.0 O A:ASN92 3.9 21.1 1.0 CA A:ASN92 3.9 22.4 1.0 C A:ARG91 4.0 22.2 1.0 CZ A:ARG91 4.1 26.0 1.0 NH2 A:ARG91 4.2 28.7 1.0 CD2 A:LEU93 4.2 27.6 1.0 N A:LEU93 4.3 23.2 1.0 CB A:ASN92 4.3 23.5 1.0 CG A:ARG91 4.5 24.8 1.0 O A:HOH412 4.6 33.8 1.0 CA A:LEU93 4.8 23.3 1.0 CG A:LEU93 4.9 25.4 1.0

Chlorine binding site 8 out of 8 in the Hewl 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 8 of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:26.0 occ:0.95 O A:HOH406 2.9 39.6 1.0 OG A:SER42 3.1 19.4 1.0 N A:GLY44 3.2 17.0 1.0 CB A:SER42 3.4 19.7 1.0 CA A:GLY44 3.4 18.7 1.0 CA A:GLN139 3.6 25.4 1.0 N A:GLN139 3.9 24.3 1.0 CB A:GLN139 4.1 31.0 1.0 CG2 A:VAL138 4.2 23.9 1.0 CG A:GLN139 4.2 35.7 1.0 CG1 A:ILE142 4.2 26.4 1.0 C A:VAL138 4.2 22.9 1.0 O A:VAL138 4.3 21.1 1.0 N A:LEU43 4.3 19.9 1.0 C A:LEU43 4.4 19.2 1.0 C A:SER42 4.4 20.5 1.0 C A:GLY44 4.5 19.8 1.0 CA A:SER42 4.5 19.4 1.0 N A:ASN45 4.7 19.7 1.0 CD1 A:ILE142 4.7 31.3 1.0 CA A:LEU43 4.8 19.8 1.0 C A:GLN139 4.9 20.7 1.0 O A:SER42 5.0 18.2 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