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

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

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

Protein crystallography data

The structure of Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant)., PDB code: 7bmp 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 / 1.90
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.952, 78.952, 36.87, 90, 90, 90
R / Rfree (%) 15.5 / 19.5

Other elements in 7bmp:

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

Caesium (Cs) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant). (pdb code 7bmp). 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 and Cryo Protectant)., PDB code: 7bmp:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 7bmp

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Chlorine binding site 1 out of 8 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:15.7
occ:1.00
 OH A:TYR41 3.0 12.6 1.0
O A:HOH333 3.3 13.8 1.0
CZ A:TYR41 3.7 12.2 1.0
CE2 A:TYR41 3.7 11.1 1.0
CA A:GLY122 4.1 13.0 1.0
O A:ARG39 4.5 15.7 1.0
N A:GLY122 4.7 12.1 1.0
CD2 A:TYR41 4.9 11.1 1.0
CE1 A:TYR41 4.9 11.7 1.0

Chlorine binding site 2 out of 8 in 7bmp

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Chlorine binding site 2 out of 8 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:29.2
occ:1.00
 NZ A:LYS51 3.5 22.1 1.0
CE2 A:PHE56 3.7 15.2 1.0
CZ3 A:TRP141 3.9 18.6 1.0
O A:HOH398 4.0 38.4 1.0
CD A:ARG23 4.1 21.4 1.0
CE A:LYS51 4.2 22.2 1.0
CD A:LYS51 4.3 18.0 1.0
CB A:ARG23 4.4 20.0 1.0
CZ A:PHE56 4.4 13.3 1.0
CD2 A:PHE56 4.6 15.0 1.0
CE3 A:TRP141 4.7 16.7 1.0
CG A:ARG23 4.7 19.4 1.0
CH2 A:TRP141 4.8 18.9 1.0
NE A:ARG23 4.8 22.3 1.0
C1 A:EDO210 5.0 40.0 1.0

Chlorine binding site 3 out of 8 in 7bmp

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Chlorine binding site 3 out of 8 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:20.8
occ:1.00
 O A:HOH370 3.0 10.8 1.0
N A:THR87 3.2 14.7 1.0
O A:HOH416 3.3 24.4 1.0
O A:THR87 3.3 15.9 1.0
CS A:CS211 3.4 41.0 0.4
N A:ARG86 3.5 14.3 1.0
C A:GLY85 3.6 15.2 1.0
OG A:SER90 3.6 19.1 1.0
CA A:GLY85 3.6 16.2 1.0
N A:GLY85 3.7 15.8 1.0
O A:HOH316 3.7 32.4 1.0
C A:THR87 3.7 16.4 1.0
OD1 A:ASN83 3.7 17.4 1.0
CA A:THR87 3.8 15.3 1.0
O A:HOH369 4.0 17.2 1.0
CB A:THR87 4.1 14.7 1.0
OD1 A:ASP84 4.2 13.1 1.0
C A:ARG86 4.2 17.4 1.0
CA A:ARG86 4.3 16.3 0.5
O A:GLY85 4.3 17.5 1.0
CA A:ARG86 4.3 16.1 0.5
N A:PRO88 4.6 18.6 1.0
OG1 A:THR87 4.7 14.2 1.0
O A:HOH376 4.7 17.7 0.5
O A:HOH301 4.7 10.4 1.0
C A:ASP84 4.8 15.6 1.0
CG A:ASN83 4.9 16.6 1.0
N A:ASP84 4.9 13.1 1.0
CB A:SER90 4.9 18.2 1.0

Chlorine binding site 4 out of 8 in 7bmp

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Chlorine binding site 4 out of 8 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:30.6
occ:0.98
 O A:HOH396 3.2 26.3 1.0
ND2 A:ASN83 3.4 18.4 1.0
CB A:PRO97 3.6 16.8 1.0
CA A:PRO97 3.8 16.2 1.0
CB A:ASN83 3.9 14.7 1.0
N A:PRO97 4.0 17.0 1.0
CG A:ASN83 4.1 16.6 1.0
CD A:PRO97 4.2 18.1 1.0
CG A:PRO97 4.3 20.4 1.0
O A:ASN83 4.3 11.6 1.0
C A:ILE96 4.5 15.8 1.0
O A:ILE96 4.8 15.4 1.0
ND2 A:ASN92 4.9 17.3 1.0
C A:ASN83 5.0 12.7 1.0

Chlorine binding site 5 out of 8 in 7bmp

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Chlorine binding site 5 out of 8 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:30.0
occ:0.99
 N A:ILE106 3.3 17.6 1.0
O A:HOH358 3.4 30.3 1.0
O A:HOH332 3.5 30.9 1.0
CG1 A:ILE106 3.7 18.6 1.0
CA A:ASP105 3.8 21.5 1.0
CE1 A:HIS33 3.8 22.8 1.0
OD1 A:ASP105 4.0 26.5 1.0
C A:ASP105 4.1 16.8 1.0
CB A:ALA29 4.2 16.9 1.0
O A:SER104 4.2 21.9 1.0
CB A:ILE106 4.3 17.6 1.0
CG A:ASP105 4.3 30.4 1.0
CZ A:PHE21 4.3 17.2 1.0
CA A:ILE106 4.3 16.7 1.0
CG2 A:ILE106 4.3 18.6 1.0
CB A:ASP105 4.6 26.1 1.0
ND1 A:HIS33 4.6 24.2 1.0
CD1 A:ILE106 4.6 20.2 1.0
NE2 A:HIS33 4.7 23.9 1.0
CE2 A:PHE21 4.9 16.2 1.0
N A:ASP105 4.9 20.4 1.0
OD2 A:ASP105 5.0 36.2 1.0
C A:SER104 5.0 21.7 1.0

Chlorine binding site 6 out of 8 in 7bmp

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Chlorine binding site 6 out of 8 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer 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 Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:35.6
occ:0.99
 NE A:ARG91 3.1 26.8 1.0
N A:ASN92 3.2 16.4 1.0
CS A:CS212 3.2 64.0 0.2
C A:ASN92 3.8 17.1 1.0
CD A:ARG91 3.8 24.6 1.0
O A:ASN92 3.8 14.7 1.0
CB A:ARG91 3.9 19.5 1.0
CA A:ASN92 3.9 17.6 1.0
CA A:ARG91 4.0 17.1 1.0
C A:ARG91 4.1 18.8 1.0
CZ A:ARG91 4.1 25.5 1.0
CD2 A:LEU93 4.1 24.0 1.0
NH2 A:ARG91 4.1 28.8 1.0
N A:LEU93 4.3 17.5 1.0
CB A:ASN92 4.3 17.7 1.0
CG A:ARG91 4.4 22.3 1.0
O A:HOH415 4.6 42.1 1.0
CA A:LEU93 4.7 18.5 1.0
CG A:LEU93 4.9 19.2 1.0

Chlorine binding site 7 out of 8 in 7bmp

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Chlorine binding site 7 out of 8 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant).


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 and Cryo Protectant). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:19.8
occ:1.00
 O A:HOH404 2.8 37.2 1.0
OG A:SER42 3.1 15.2 1.0
N A:GLY44 3.2 15.3 1.0
CA A:GLY44 3.5 14.9 1.0
CB A:SER42 3.5 16.3 1.0
CA A:GLN139 3.6 20.0 1.0
CD1 A:ILE142 3.8 22.3 1.0
N A:GLN139 3.9 17.8 1.0
CB A:GLN139 4.0 25.0 1.0
CG A:GLN139 4.1 28.7 1.0
CG2 A:VAL138 4.2 16.3 1.0
C A:VAL138 4.2 15.9 1.0
O A:VAL138 4.3 15.4 1.0
CG1 A:ILE142 4.3 19.5 1.0
N A:LEU43 4.3 14.4 1.0
C A:LEU43 4.4 16.1 1.0
C A:SER42 4.4 16.0 1.0
C A:GLY44 4.5 13.4 1.0
CA A:SER42 4.6 14.2 1.0
N A:ASN45 4.6 12.3 1.0
C A:GLN139 4.8 16.9 1.0
CA A:LEU43 4.8 16.0 1.0
O A:SER42 4.9 13.9 1.0
O A:HOH408 4.9 35.7 1.0

Chlorine binding site 8 out of 8 in 7bmp

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Chlorine binding site 8 out of 8 in the Hewl in Cesium Chloride (0.25 M Cscl in Protein Buffer and Cryo Protectant).


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 and Cryo Protectant). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:40.6
occ:0.81
 O A:HOH383 2.7 26.7 1.0
N A:GLU25 3.1 14.5 1.0
N A:CYS24 3.4 18.1 1.0
CA A:GLY22 3.5 18.8 1.0
C A:GLY22 3.6 17.0 1.0
CB A:GLU25 3.7 17.3 1.0
CB A:CYS24 3.8 21.1 1.0
N A:ARG23 3.9 17.4 1.0
CA A:CYS24 3.9 18.4 1.0
C A:CYS24 3.9 16.7 1.0
CA A:GLU25 4.0 16.0 1.0
O A:GLY22 4.2 17.2 1.0
C A:ARG23 4.4 18.7 1.0
N A:GLY22 4.5 17.3 1.0
CA A:ARG23 4.7 18.1 1.0
OE1 A:GLU25 4.9 21.2 1.0
SG A:CYS24 5.0 21.7 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 19:16:55 2024

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