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Caesium in PDB 2wuv: Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile

Enzymatic activity of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile

All present enzymatic activity of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile:
3.4.21.62;

Protein crystallography data

The structure of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile, PDB code: 2wuv was solved by M.Cianci, B.Tomaszewki, J.R.Helliwell, P.J.Halling, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.68 / 2.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.177, 55.311, 75.778, 90.00, 90.00, 90.00
R / Rfree (%) 16 / 23.054

Other elements in 2wuv:

The structure of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Chlorine (Cl) 8 atoms
Sodium (Na) 1 atom

Caesium Binding Sites:

Pages:

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

Binding sites:

The binding sites of Caesium atom in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (pdb code 2wuv). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 11 binding sites of Caesium where determined in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile, PDB code: 2wuv:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Caesium binding site 1 out of 11 in 2wuv

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Caesium binding site 1 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


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Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1283

b:22.4
occ:0.60
 O A:HIS39 2.9 21.1 1.0
O A:LEU42 3.0 20.7 1.0
O A:ALA37 3.1 23.2 1.0
CL A:CL1282 3.1 21.1 0.2
O A:HOH2014 3.4 24.3 1.0
C A:HIS39 3.8 20.6 1.0
C A:SER38 3.9 22.5 1.0
O A:SER38 4.0 23.2 1.0
N A:HIS39 4.2 21.8 1.0
C A:LEU42 4.2 22.1 1.0
C A:ALA37 4.2 22.2 1.0
CA A:SER38 4.2 22.4 1.0
CA A:PRO40 4.4 20.5 1.0
N A:PRO40 4.6 21.2 1.0
CA A:HIS39 4.7 20.0 1.0
N A:SER38 4.8 21.7 1.0
C A:PRO40 4.8 20.4 1.0
N A:LEU42 4.9 20.2 1.0
CA A:ASN43 5.0 24.2 1.0

Caesium binding site 2 out of 11 in 2wuv

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Caesium binding site 2 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1284

b:19.3
occ:0.45
 O A:SER260 3.0 26.9 1.0
O A:ALA194 3.2 22.7 1.0
O A:LEU196 3.2 21.9 1.0
O A:GLY193 3.4 23.7 1.0
C A:ALA194 3.6 23.4 1.0
C A:SER260 3.6 27.1 1.0
OG A:SER260 3.7 32.0 1.0
O A:HOH2082 3.8 37.0 1.0
CB A:SER260 3.9 29.3 1.0
CA A:ALA194 3.9 23.3 1.0
N A:LEU196 4.0 21.9 1.0
C A:LEU196 4.1 21.5 1.0
CB A:LEU196 4.2 22.0 1.0
O A:HOH2084 4.3 61.1 1.0
N A:PHE261 4.3 26.2 1.0
C A:GLY193 4.3 23.4 1.0
CA A:LEU196 4.4 21.7 1.0
CA A:SER260 4.4 27.7 1.0
CA A:GLY264 4.4 22.2 1.0
N A:GLU195 4.5 23.4 1.0
CA A:PHE261 4.5 26.4 1.0
N A:ALA194 4.6 23.9 1.0
C A:GLU195 4.7 23.2 1.0
N A:GLY264 4.8 22.1 1.0
CA A:GLU195 5.0 23.6 1.0

Caesium binding site 3 out of 11 in 2wuv

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Caesium binding site 3 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1285

b:28.5
occ:0.25
 O A:HOH2041 2.6 51.1 1.0
O A:SER98 3.2 26.6 1.0
O A:GLY61 3.3 26.6 1.0
O A:HOH2028 3.7 49.6 1.0
O A:HOH2110 3.9 45.8 1.0
C A:SER98 4.1 27.5 1.0
C A:GLY61 4.3 25.1 1.0
CA A:ASN62 4.3 23.4 1.0
OG A:SER98 4.4 31.2 1.0
CB A:SER98 4.6 27.1 1.0
OD1 A:ASN62 4.7 26.9 1.0
N A:ASN62 4.8 23.3 1.0
N A:SER99 4.9 28.9 1.0
CA A:SER98 4.9 27.3 1.0
CB A:ASN62 4.9 23.3 1.0
CA A:SER99 5.0 30.6 1.0

Caesium binding site 4 out of 11 in 2wuv

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Caesium binding site 4 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1286

b:33.6
occ:0.20
 OD1 A:ASN185 3.2 31.0 1.0
ND2 A:ASN185 3.3 28.0 1.0
CG A:ASN185 3.7 28.0 1.0
O A:ASN183 3.8 24.2 1.0
CB A:ASN183 4.4 26.9 1.0
C A:ASN183 4.8 26.7 1.0

Caesium binding site 5 out of 11 in 2wuv

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Caesium binding site 5 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1287

b:28.5
occ:0.25
 CD2 A:TYR256 3.3 32.9 1.0
CE2 A:TYR256 3.4 34.5 1.0
CG A:TYR256 3.7 28.5 1.0
CZ A:TYR256 3.9 34.9 1.0
CD1 A:TYR256 4.2 29.7 1.0
CE1 A:TYR256 4.3 31.4 1.0
CB A:TYR256 4.4 26.7 1.0
OH A:TYR256 4.6 36.8 1.0

Caesium binding site 6 out of 11 in 2wuv

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Caesium binding site 6 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1288

b:25.9
occ:0.20
 O A:HOH2101 3.0 46.2 1.0
O A:TYR143 3.0 21.5 1.0
CE1 A:TYR143 3.6 25.3 1.0
CD1 A:TYR143 3.6 21.6 1.0
C A:TYR143 3.6 22.5 1.0
OG A:SER244 3.6 32.5 1.0
CZ A:TYR143 3.7 26.5 1.0
CG A:TYR143 3.8 23.2 1.0
CE2 A:TYR143 3.9 26.1 1.0
CD2 A:TYR143 3.9 27.7 1.0
CA A:ALA144 4.1 24.4 1.0
N A:ALA144 4.1 22.9 1.0
OH A:TYR143 4.3 31.4 1.0
N A:SER244 4.5 27.6 1.0
CB A:ALA243 4.5 27.4 1.0
CA A:TYR143 4.6 22.4 1.0
CB A:TYR143 4.6 22.9 1.0
C A:ALA144 4.7 25.4 1.0
CB A:SER244 4.8 27.5 1.0
O A:ALA144 4.8 24.7 1.0

Caesium binding site 7 out of 11 in 2wuv

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Caesium binding site 7 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1289

b:39.8
occ:0.30
 O A:LEU241 2.9 32.2 1.0
O A:PRO239 3.0 37.1 1.0
O A:HOH2052 3.1 49.0 1.0
O A:HOH2099 3.1 52.6 1.0
O A:HOH2062 3.3 45.2 1.0
C A:LEU241 3.9 33.3 1.0
C A:PRO239 4.2 36.6 1.0
CD2 A:LEU235 4.2 25.2 1.0
C A:ASN240 4.2 37.7 1.0
N A:LEU241 4.3 36.4 1.0
O A:ASN240 4.4 37.4 1.0
CA A:ASN240 4.5 38.8 1.0
CA A:LEU241 4.8 34.1 1.0
N A:SER242 4.8 31.5 1.0
N A:ASN240 4.8 37.9 1.0
CA A:SER242 4.8 30.8 1.0
O A:HOH2063 4.9 25.1 1.0

Caesium binding site 8 out of 11 in 2wuv

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Caesium binding site 8 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 8 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1290

b:23.1
occ:0.15
 O A:ALA254 3.1 26.6 1.0
O A:HOH2104 3.4 34.7 1.0
O A:HOH2103 3.9 31.9 1.0
O A:THR253 3.9 19.5 1.0
C A:THR253 4.1 21.7 1.0
C A:ALA254 4.2 24.8 1.0
CA A:THR253 4.5 22.7 1.0
O A:SER252 4.6 28.7 1.0
N A:ALA254 4.7 22.1 1.0
CL A:CL1277 4.7 28.9 0.6
CA A:THR255 4.8 25.8 1.0
N A:THR255 4.8 24.8 1.0

Caesium binding site 9 out of 11 in 2wuv

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Caesium binding site 9 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 9 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1291

b:26.5
occ:0.20
 O A:HOH2086 2.0 50.6 1.0
OG1 A:THR3 2.9 25.6 1.0
O A:ALA1 2.9 33.1 1.0
O A:GLY80 3.1 21.4 1.0
O A:HOH2036 3.2 43.9 1.0
N A:THR3 3.8 27.1 1.0
CB A:THR3 4.0 27.0 1.0
C A:GLY80 4.0 21.4 1.0
CA A:GLY80 4.1 22.6 1.0
C A:ALA1 4.1 32.7 1.0
N A:GLY80 4.2 25.0 1.0
C A:GLN2 4.5 28.8 1.0
CA A:THR3 4.5 26.0 1.0
OH A:TYR206 4.5 21.6 1.0
CA A:GLN2 4.6 29.0 1.0
CE1 A:TYR206 4.7 17.0 1.0
N A:GLN2 4.8 30.8 1.0

Caesium binding site 10 out of 11 in 2wuv

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Caesium binding site 10 out of 11 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 10 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cs1292

b:42.4
occ:0.20
 O A:SER156 3.2 34.5 1.0
O A:ASN158 3.2 46.1 1.0
CL A:CL1279 3.5 46.7 0.5
CA A:GLY157 4.0 37.9 1.0
N A:ASN158 4.0 42.1 1.0
C A:GLY157 4.2 40.0 1.0
C A:SER156 4.2 34.3 1.0
C A:ASN158 4.3 46.0 1.0
N A:GLY157 4.6 36.0 1.0
CA A:ASN158 4.8 45.2 1.0
O A:GLY157 4.9 39.4 1.0
ND2 A:ASN158 5.0 52.3 1.0

Reference:

M.Cianci, B.Tomaszewski, J.R.Helliwell, P.J.Halling. Crystallographic Analysis of Counterion Effects on Subtilisin Enzymatic Action in Acetonitrile. J.Am.Chem.Soc. V. 132 2293 2010.
ISSN: ISSN 0002-7863
PubMed: 20099851
DOI: 10.1021/JA908703C
Page generated: Tue Jul 30 20:20:32 2024

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