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Caesium in PDB 7bmq: Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)

Enzymatic activity of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)

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

Protein crystallography data

The structure of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant), PDB code: 7bmq 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) 39.38 / 1.79
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.753, 78.753, 36.812, 90, 90, 90
R / Rfree (%) 20.9 / 25.7

Other elements in 7bmq:

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

Chlorine (Cl) 3 atoms

Caesium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Caesium atom in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) (pdb code 7bmq). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 15 binding sites of Caesium where determined in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant), PDB code: 7bmq:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Caesium binding site 1 out of 15 in 7bmq

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Caesium binding site 1 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs205

b:31.1
occ:0.37
 OG A:SER90 2.7 38.4 1.0
O A:SER90 2.7 25.6 1.0
CS A:CS213 3.1 39.5 0.3
O A:HOH386 3.1 30.7 0.5
O A:HOH303 3.2 27.2 1.0
C A:SER90 3.5 33.6 1.0
O A:HOH383 3.6 8.9 1.0
N A:SER90 3.6 39.3 1.0
CB A:SER90 3.8 37.4 1.0
CA A:SER90 3.8 35.8 1.0
O A:THR87 4.0 16.4 1.0
CL A:CL203 4.4 41.6 1.0
C A:GLY89 4.5 38.2 1.0
N A:GLY89 4.6 31.6 1.0
N A:ARG91 4.6 26.0 1.0
OD1 A:ASN83 4.6 18.7 1.0
O A:HOH302 4.8 31.2 1.0
O A:HOH340 4.9 14.1 1.0

Caesium binding site 2 out of 15 in 7bmq

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Caesium binding site 2 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs206

b:39.6
occ:0.81
 ND2 A:ASN95 2.8 24.0 1.0
O A:ASN92 2.9 15.0 1.0
O A:ARG91 3.4 25.7 1.0
O A:HOH301 3.4 28.8 1.0
O A:HOH423 3.8 40.7 1.0
CG A:ASN95 3.8 26.6 1.0
C A:ASN92 3.9 16.4 1.0
OD1 A:ASN95 4.2 29.2 1.0
CB A:ASN92 4.4 17.1 1.0
C A:ARG91 4.5 22.5 1.0
CA A:ASN92 4.6 17.3 1.0
N A:LEU93 4.7 17.1 1.0
CA A:LEU93 4.8 18.9 1.0
CG A:ASN92 4.8 16.5 1.0
CB A:ASN95 4.8 23.3 1.0
CA A:ASN95 4.9 22.4 1.0
ND2 A:ASN92 5.0 17.1 1.0

Caesium binding site 3 out of 15 in 7bmq

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Caesium binding site 3 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs207

b:44.9
occ:0.45
 O A:CYS94 3.2 22.4 1.0
O A:ASN95 3.4 20.4 1.0
O A:HOH413 3.8 21.2 1.0
O A:HOH359 3.9 23.5 1.0
C A:ASN95 4.1 22.3 1.0
O A:HOH356 4.3 26.2 1.0
CB A:ASN95 4.4 23.3 1.0
C A:CYS94 4.4 19.3 1.0
CD1 A:ILE96 4.5 33.3 1.0
CA A:ASN95 4.7 22.4 1.0
CB A:ILE96 4.7 26.3 1.0
O A:HOH307 4.8 35.2 1.0
N A:ILE96 4.9 22.2 1.0

Caesium binding site 4 out of 15 in 7bmq

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Caesium binding site 4 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs208

b:34.5
occ:0.43
 OD2 A:ASP70 3.0 16.5 1.0
O A:HOH358 3.0 28.2 1.0
CS A:CS211 3.3 33.5 0.4
OE1 A:GLU53 3.3 12.6 1.0
O A:HOH412 3.4 21.8 1.0
OE1 A:GLN75 3.5 10.7 1.0
CS A:CS218 3.8 64.3 0.4
CB A:GLN75 3.8 12.4 1.0
CG A:GLN75 3.9 11.6 1.0
O A:HOH322 4.1 24.6 1.0
CG A:ASP70 4.1 14.0 1.0
CD A:GLN75 4.2 11.6 1.0
CB A:ASP70 4.3 12.3 1.0
O A:HOH306 4.5 14.6 1.0
CD A:GLU53 4.6 12.1 1.0
O A:HOH330 4.6 19.4 1.0
O A:HOH332 4.6 27.7 1.0
CB A:ASN62 4.8 20.8 1.0
O A:GLU53 4.8 12.7 1.0
ND2 A:ASN62 4.9 22.8 1.0

Caesium binding site 5 out of 15 in 7bmq

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Caesium binding site 5 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs209

b:35.4
occ:0.89
 OD1 A:ASN62 3.2 24.8 1.0
CG A:ASN62 4.2 24.2 1.0
ND2 A:ASN62 4.9 22.8 1.0

Caesium binding site 6 out of 15 in 7bmq

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Caesium binding site 6 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs210

b:34.8
occ:0.35
 O A:ARG63 3.2 24.8 1.0
C A:ARG63 4.3 21.7 1.0
N A:ARG63 4.4 18.9 1.0
CA A:ARG63 4.8 21.2 0.5
CB A:ARG63 4.8 23.9 0.5
CA A:ARG63 4.8 20.2 0.5
CB A:ASN62 5.0 20.8 1.0

Caesium binding site 7 out of 15 in 7bmq

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Caesium binding site 7 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs211

b:33.5
occ:0.38
 CS A:CS218 2.6 64.3 0.4
OD1 A:ASN64 2.8 24.8 1.0
CS A:CS208 3.3 34.5 0.4
OD2 A:ASP70 3.4 16.5 1.0
CB A:ASN62 3.9 20.8 1.0
CG A:ASN64 4.0 25.3 1.0
O A:ARG63 4.0 24.8 1.0
O A:ASN62 4.1 14.2 1.0
CG A:ASP70 4.2 14.0 1.0
O A:HOH332 4.4 27.7 1.0
C A:ASN62 4.4 17.7 1.0
C A:ARG63 4.4 21.7 1.0
CA A:ASN64 4.6 24.2 1.0
CB A:ASP70 4.6 12.3 1.0
N A:ASN64 4.6 22.5 1.0
O A:HOH399 4.7 28.3 1.0
ND2 A:ASN64 4.8 23.8 1.0
CB A:ASN64 4.8 25.9 1.0
CA A:ASN62 4.8 17.9 1.0
OD1 A:ASP70 5.0 15.3 1.0

Caesium binding site 8 out of 15 in 7bmq

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Caesium binding site 8 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs212

b:44.0
occ:0.27
 O A:ALA125 3.1 14.3 1.0
O A:HOH368 3.2 30.5 1.0
O A:HOH374 3.7 11.7 1.0
O A:HOH347 3.8 21.0 1.0
O1 A:EDO204 3.8 26.2 1.0
C A:ALA125 4.2 13.4 1.0
C1 A:EDO204 4.4 21.2 1.0
CG2 A:VAL127 4.5 14.7 1.0
CA A:ALA125 4.6 12.7 1.0

Caesium binding site 9 out of 15 in 7bmq

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Caesium binding site 9 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs213

b:39.5
occ:0.28
 CL A:CL203 2.9 41.6 1.0
OD1 A:ASN83 3.1 18.7 1.0
CS A:CS205 3.1 31.1 0.4
O A:HOH383 3.4 8.9 1.0
O A:HOH422 3.6 34.9 1.0
O A:HOH303 4.1 27.2 1.0
CG A:ASN83 4.1 16.5 1.0
ND2 A:ASN83 4.5 19.5 1.0
CA A:GLY85 4.7 14.4 1.0
O A:HOH386 4.8 30.7 0.5
OG A:SER90 4.9 38.4 1.0
N A:GLY85 5.0 12.9 1.0
O A:HOH384 5.0 29.2 1.0

Caesium binding site 10 out of 15 in 7bmq

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Caesium binding site 10 out of 15 in the Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant)


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 10 of Hewl in Cesium Chloride (1.71 M Cscl in Cryo Protectant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs214

b:46.2
occ:0.21
 O A:ASP36 3.2 20.5 1.0
O A:GLY34 3.3 18.2 1.0
C A:GLY34 4.1 19.2 1.0
C A:ASP36 4.3 23.5 1.0
CA A:GLY34 4.4 19.3 1.0
N A:TYR38 4.5 17.7 1.0
OD1 A:ASP36 4.6 33.2 1.0
CA A:TYR38 4.6 15.7 1.0
C A:ASN37 4.7 18.3 1.0
N A:ASP36 4.8 22.3 1.0
O A:ASN37 4.9 18.4 1.0
CB A:TYR38 4.9 17.2 1.0
CD1 A:TYR38 4.9 17.5 1.0
CG A:ASP36 5.0 27.6 1.0
C A:LEU35 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: Tue Jul 30 21:04:08 2024

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