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Sodium in PDB 2wuw: Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data)

Enzymatic activity of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data)

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

Protein crystallography data

The structure of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data), PDB code: 2wuw 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) 44.72 / 2.23
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.668, 55.314, 75.989, 90.00, 90.00, 90.00
R / Rfree (%) 18.205 / 24.922

Other elements in 2wuw:

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

Calcium (Ca) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data) (pdb code 2wuw). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data), PDB code: 2wuw:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 2wuw

Go back to Sodium Binding Sites List in 2wuw
Sodium binding site 1 out of 2 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Na1277

b:43.4
occ:1.00
 O E:HOH2017 2.3 40.1 1.0
O E:HIS39 2.4 32.1 1.0
O E:LEU42 2.4 32.6 1.0
O E:ALA37 2.5 30.2 1.0
O E:HOH2006 3.2 60.4 1.0
C E:HIS39 3.4 32.6 1.0
C E:SER38 3.5 30.2 1.0
O E:HOH2021 3.6 36.4 1.0
C E:LEU42 3.6 32.7 1.0
O E:SER38 3.6 30.8 1.0
C E:ALA37 3.7 30.3 1.0
N E:HIS39 3.7 30.6 1.0
CA E:SER38 3.9 30.4 1.0
CA E:HIS39 4.1 31.0 1.0
N E:LEU42 4.2 31.6 1.0
N E:SER38 4.3 29.8 1.0
N E:PRO40 4.3 33.5 1.0
CA E:PRO40 4.4 32.9 1.0
CA E:LEU42 4.4 31.9 1.0
C E:PRO40 4.6 31.7 1.0
N E:ASN43 4.6 33.6 1.0
CA E:ASN43 4.7 34.4 1.0
CB E:LEU42 4.7 32.2 1.0
CB E:HIS39 4.8 29.9 1.0
O E:PRO40 4.8 30.4 1.0
CA E:ALA37 4.8 30.9 1.0
N E:ASP41 5.0 31.8 1.0

Sodium binding site 2 out of 2 in 2wuw

Go back to Sodium Binding Sites List in 2wuw
Sodium binding site 2 out of 2 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data) within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Na1278

b:27.5
occ:1.00
 O E:HOH2077 2.2 35.5 1.0
O E:VAL174 2.2 27.1 1.0
O E:TYR171 2.4 30.2 1.0
O E:ALA169 2.5 30.6 1.0
O E:HOH2081 2.5 38.0 1.0
C E:TYR171 3.3 31.4 1.0
C E:VAL174 3.4 29.3 1.0
C E:ALA169 3.7 30.9 1.0
C E:LYS170 3.9 31.4 1.0
N E:VAL174 4.0 31.4 1.0
O E:LYS170 4.0 32.3 1.0
N E:TYR171 4.0 31.7 1.0
N E:ALA176 4.0 28.3 1.0
CA E:VAL174 4.1 28.4 1.0
N E:ASP172 4.1 32.4 1.0
CA E:ASP172 4.1 35.0 1.0
C E:ASP172 4.3 34.2 1.0
CB E:VAL174 4.3 28.5 1.0
CA E:TYR171 4.3 31.8 1.0
CB E:ALA176 4.3 26.9 1.0
NH2 E:ARG247 4.3 37.2 1.0
CA E:LYS170 4.4 31.3 1.0
N E:ILE175 4.4 29.1 1.0
O E:GLU195 4.4 31.1 1.0
O E:ASP172 4.5 34.4 1.0
OE2 E:GLU197 4.5 33.2 1.0
N E:LYS170 4.5 31.3 1.0
CA E:ILE175 4.6 29.3 1.0
C E:ILE175 4.6 29.3 1.0
CA E:ALA169 4.6 30.5 1.0
N E:SER173 4.7 33.8 1.0
CA E:ALA176 4.7 27.5 1.0
CB E:GLU195 4.8 33.6 1.0
O E:PRO168 5.0 30.7 1.0
CG1 E:VAL174 5.0 25.4 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 Dec 15 05:58:24 2020

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