Chlorine in PDB 7bms: Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant)

Enzymatic activity of Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant)

All present enzymatic activity of Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant):
3.2.1.17;

Protein crystallography data

The structure of Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant), PDB code: 7bms 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) 37.96 / 1.75
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 75.928, 75.928, 35.707, 90, 90, 90
R / Rfree (%) 17.5 / 20.9

Other elements in 7bms:

The structure of Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and 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 (1.5 M Cscl in Crystallization Condition and Cryo Protectant) (pdb code 7bms). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant), PDB code: 7bms:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 7bms

Go back to Chlorine Binding Sites List in 7bms
Chlorine binding site 1 out of 4 in the Hewl in Cesium Chloride (1.5 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 Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:14.9
occ:1.00
 OH A:TYR41 2.9 12.3 1.0
O A:HOH320 3.2 13.8 1.0
CE2 A:TYR41 3.5 11.2 1.0
CZ A:TYR41 3.5 11.8 1.0
CA A:GLY122 3.9 11.9 1.0
O A:ARG39 4.3 13.7 1.0
N A:GLY122 4.6 11.6 1.0
CE1 A:TYR41 4.7 11.6 1.0
CD2 A:TYR41 4.7 10.8 1.0

Chlorine binding site 2 out of 4 in 7bms

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Chlorine binding site 2 out of 4 in the Hewl in Cesium Chloride (1.5 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 Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:26.9
occ:0.99
 CE2 A:PHE56 3.6 12.2 1.0
CZ3 A:TRP141 3.8 14.9 1.0
NZ A:LYS51 3.8 21.9 1.0
CD A:ARG23 3.9 17.0 1.0
CB A:ARG23 4.0 16.3 1.0
CE A:LYS51 4.1 19.1 1.0
CD A:LYS51 4.3 16.6 1.0
CZ A:PHE56 4.3 12.1 1.0
CG A:ARG23 4.4 16.6 1.0
NE A:ARG23 4.4 17.1 1.0
CD2 A:PHE56 4.5 12.2 1.0
CE3 A:TRP141 4.6 14.2 1.0
CH2 A:TRP141 4.7 15.2 1.0
O A:HOH428 4.8 33.6 1.0
CA A:ARG23 5.0 15.8 1.0

Chlorine binding site 3 out of 4 in 7bms

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Chlorine binding site 3 out of 4 in the Hewl in Cesium Chloride (1.5 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 Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:23.3
occ:0.88
 N A:THR87 2.9 14.0 1.0
O A:THR87 3.0 16.3 1.0
O A:HOH334 3.1 12.6 1.0
O A:HOH412 3.3 30.9 1.0
N A:ARG86 3.3 12.4 1.0
C A:GLY85 3.4 14.8 1.0
CS A:CS205 3.4 38.6 0.3
CS A:CS213 3.4 39.8 0.3
N A:GLY85 3.4 13.4 1.0
OD1 A:ASN83 3.4 17.2 1.0
C A:THR87 3.5 16.9 1.0
CA A:GLY85 3.5 15.3 1.0
CB A:SER90 3.6 32.9 1.0
CA A:THR87 3.6 14.8 1.0
OG A:SER90 3.7 27.5 1.0
C A:ARG86 3.8 14.5 1.0
OD1 A:ASP84 3.9 11.5 1.0
CB A:THR87 3.9 14.7 1.0
O A:GLY85 4.0 19.3 1.0
CA A:ARG86 4.0 14.1 1.0
N A:PRO88 4.4 22.1 1.0
OG1 A:THR87 4.5 12.5 1.0
C A:ASP84 4.5 13.2 1.0
N A:ASP84 4.5 12.0 1.0
CG A:ASN83 4.6 16.1 1.0
O A:HOH394 4.7 15.3 0.5
CA A:SER90 4.8 30.5 1.0
N A:SER90 4.8 31.8 1.0
O A:ARG86 4.9 17.1 1.0
CA A:PRO88 5.0 23.2 1.0

Chlorine binding site 4 out of 4 in 7bms

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Chlorine binding site 4 out of 4 in the Hewl in Cesium Chloride (1.5 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 Hewl in Cesium Chloride (1.5 M Cscl in Crystallization Condition and Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:20.0
occ:0.97
 O A:HOH399 2.6 35.0 1.0
OG A:SER42 3.0 16.3 1.0
N A:GLY44 3.0 11.8 1.0
CB A:SER42 3.3 15.3 1.0
CA A:GLY44 3.3 12.1 1.0
CA A:GLN139 3.5 17.1 1.0
N A:GLN139 3.7 15.2 1.0
CD1 A:ILE142 3.7 21.2 1.0
CB A:GLN139 4.0 22.0 1.0
CG1 A:ILE142 4.1 19.3 1.0
C A:VAL138 4.1 14.2 1.0
O A:VAL138 4.1 13.7 1.0
N A:LEU43 4.1 12.7 1.0
CG2 A:VAL138 4.2 15.8 1.0
C A:LEU43 4.2 13.3 1.0
C A:SER42 4.3 13.2 1.0
CG A:GLN139 4.3 26.8 1.0
C A:GLY44 4.4 11.3 1.0
CA A:SER42 4.4 14.2 1.0
N A:ASN45 4.5 10.8 1.0
CA A:LEU43 4.6 12.7 1.0
C A:GLN139 4.7 14.0 1.0
O A:SER42 4.7 12.0 1.0
CB A:VAL138 4.8 14.0 1.0
O A:GLN139 4.9 13.7 1.0
CB A:LEU43 4.9 13.6 1.0
CG2 A:ILE142 5.0 17.6 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 19:18:43 2024

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