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Calcium 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:

Sodium (Na) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium was determined in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile (Native Data), PDB code: 2wuw:

Calcium binding site 1 out of 1 in 2wuw

Go back to Calcium Binding Sites List in 2wuw
Calcium binding site 1 out of 1 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 Calcium with other atoms in the Ca 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:Ca1279

b:31.7
occ:1.00
 O E:VAL81 2.2 29.0 1.0
OD1 E:ASN77 2.3 35.6 1.0
OD1 E:ASP41 2.5 28.5 1.0
O E:THR79 2.5 37.6 1.0
O E:LEU75 2.5 31.4 1.0
OE1 E:GLN2 2.6 30.2 1.0
OD2 E:ASP41 2.6 29.4 1.0
CG E:ASP41 2.9 29.5 1.0
CG E:ASN77 3.3 34.7 1.0
C E:VAL81 3.4 28.5 1.0
CD E:GLN2 3.6 32.1 1.0
C E:LEU75 3.6 31.4 1.0
C E:THR79 3.6 36.4 1.0
N E:VAL81 3.7 30.9 1.0
ND2 E:ASN77 3.8 32.2 1.0
CG E:GLN2 4.0 32.9 1.0
C E:GLY80 4.1 32.9 1.0
N E:ASN77 4.1 34.1 1.0
CA E:VAL81 4.2 29.2 1.0
N E:LEU75 4.3 30.7 1.0
CA E:GLY80 4.4 33.4 1.0
N E:THR79 4.4 38.2 1.0
CB E:ASP41 4.4 30.6 1.0
CA E:LEU75 4.4 29.7 1.0
N E:LEU82 4.4 28.6 1.0
N E:GLY80 4.5 35.4 1.0
CB E:ASN77 4.6 33.5 1.0
N E:ASP76 4.6 31.6 1.0
CG2 E:THR79 4.6 36.2 1.0
CA E:THR79 4.6 36.9 1.0
CA E:LEU82 4.6 29.6 1.0
CA E:ASN77 4.7 35.3 1.0
CB E:GLN2 4.7 33.2 1.0
CA E:ASP76 4.7 34.1 1.0
CB E:LEU75 4.7 28.4 1.0
C E:ASN77 4.7 36.5 1.0
NE2 E:GLN2 4.7 27.9 1.0
O E:ASN77 4.7 38.0 1.0
C E:ALA74 4.8 28.8 1.0
C E:ASP76 4.8 34.3 1.0
O E:GLY80 4.9 33.6 1.0
CB E:ALA74 5.0 29.0 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: Fri Jul 12 18:53:59 2024

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