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Chlorine in PDB 7bmr: Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant)

Enzymatic activity of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant)

All present enzymatic activity of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant):
3.2.1.17;

Protein crystallography data

The structure of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant), PDB code: 7bmr 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) 39.48 / 1.78
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.968, 78.968, 36.81, 90, 90, 90
R / Rfree (%) 17.7 / 21.2

Other elements in 7bmr:

The structure of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant) also contains other interesting chemical elements:

Caesium (Cs) 16 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant) (pdb code 7bmr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant), PDB code: 7bmr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in 7bmr

Go back to Chlorine Binding Sites List in 7bmr
Chlorine binding site 1 out of 3 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant)


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 and 1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:15.0
occ:1.00
 OH A:TYR41 3.0 9.1 1.0
O A:HOH357 3.3 13.4 1.0
CZ A:TYR41 3.6 10.0 1.0
CE2 A:TYR41 3.7 9.6 1.0
CA A:GLY122 4.1 10.9 1.0
O A:ARG39 4.6 14.5 1.0
N A:GLY122 4.7 10.1 1.0
CE1 A:TYR41 4.9 9.8 1.0
CD2 A:TYR41 4.9 10.0 1.0

Chlorine binding site 2 out of 3 in 7bmr

Go back to Chlorine Binding Sites List in 7bmr
Chlorine binding site 2 out of 3 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant)


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 and 1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:31.1
occ:0.95
 CE2 A:PHE56 3.8 12.7 1.0
NZ A:LYS51 3.8 23.4 1.0
CZ3 A:TRP141 4.0 19.3 1.0
CD A:ARG23 4.1 18.2 1.0
CB A:ARG23 4.2 16.4 1.0
CE A:LYS51 4.4 21.1 1.0
CZ A:PHE56 4.4 12.0 1.0
CD A:LYS51 4.5 16.7 1.0
NE A:ARG23 4.6 19.9 1.0
CG A:ARG23 4.6 16.9 1.0
CD2 A:PHE56 4.8 12.9 1.0
CE3 A:TRP141 4.8 18.6 1.0
CH2 A:TRP141 4.9 18.9 1.0

Chlorine binding site 3 out of 3 in 7bmr

Go back to Chlorine Binding Sites List in 7bmr
Chlorine binding site 3 out of 3 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and 1.71 M Cscl in Cryo Protectant)


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 and 1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:37.8
occ:0.78
 CS A:CS214 2.8 36.6 0.3
O A:HOH414 3.2 41.3 1.0
O A:HOH409 3.3 31.7 1.0
O A:HOH310 3.6 28.1 1.0
O A:HOH385 3.9 27.6 0.5
O A:HOH387 4.1 11.2 1.0
CS A:CS206 4.3 29.1 0.5
O A:GLY85 4.8 19.1 1.0

Reference:

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
Page generated: Mon Jul 29 19:16:59 2024

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