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Calcium 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:

Caesium (Cs) 11 atoms
Chlorine (Cl) 8 atoms
Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium 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 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, PDB code: 2wuv:

Calcium binding site 1 out of 1 in 2wuv

Go back to Calcium Binding Sites List in 2wuv
Calcium binding site 1 out of 1 in the Crystallographic Analysis of Counter-Ion Effects on Subtilisin Enzymatic Action in Acetonitrile


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 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1294

b:22.5
occ:1.00
 O A:LEU75 2.3 18.5 1.0
O A:VAL81 2.3 20.6 1.0
OD1 A:ASP41 2.3 23.0 1.0
OD1 A:ASN77 2.4 23.2 1.0
O A:THR79 2.5 27.8 1.0
OE1 A:GLN2 2.5 24.6 1.0
OD2 A:ASP41 2.5 22.8 1.0
CG A:ASP41 2.8 18.8 1.0
CG A:ASN77 3.4 24.0 1.0
C A:LEU75 3.5 20.3 1.0
C A:VAL81 3.5 19.4 1.0
CD A:GLN2 3.5 24.6 1.0
C A:THR79 3.6 26.6 1.0
N A:VAL81 3.6 19.7 1.0
ND2 A:ASN77 3.8 22.0 1.0
CG A:GLN2 4.0 27.7 1.0
N A:ASN77 4.0 26.3 1.0
C A:GLY80 4.2 21.4 1.0
CA A:VAL81 4.2 18.6 1.0
CB A:ASP41 4.3 19.1 1.0
N A:LEU75 4.3 19.6 1.0
CA A:LEU75 4.3 19.6 1.0
CA A:GLY80 4.4 22.6 1.0
N A:ASP76 4.4 21.7 1.0
N A:THR79 4.4 29.0 1.0
N A:GLY80 4.4 25.0 1.0
N A:LEU82 4.5 20.1 1.0
CA A:ASP76 4.6 24.6 1.0
CA A:THR79 4.6 28.1 1.0
CB A:ASN77 4.6 23.9 1.0
NE2 A:GLN2 4.6 21.9 1.0
CG2 A:THR79 4.7 28.3 1.0
C A:ASP76 4.7 25.3 1.0
CB A:LEU75 4.7 18.4 1.0
C A:ALA74 4.7 19.3 1.0
CA A:ASN77 4.7 25.8 1.0
CA A:LEU82 4.8 20.4 1.0
C A:ASN77 4.8 27.0 1.0
CB A:GLN2 4.9 27.7 1.0
O A:ASN77 4.9 27.8 1.0
O A:GLY80 5.0 21.4 1.0
O A:ALA74 5.0 19.5 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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