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Calcium in PDB 4c3u: Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative

Enzymatic activity of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative

All present enzymatic activity of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative:
3.4.21.62;

Protein crystallography data

The structure of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative, PDB code: 4c3u was solved by M.Cianci, J.Negroni, 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) 33.92 / 2.29
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 52.167, 55.226, 75.850, 90.00, 90.00, 90.00
R / Rfree (%) 15.626 / 23.431

Other elements in 4c3u:

The structure of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative also contains other interesting chemical elements:

Caesium (Cs) 10 atoms
Chlorine (Cl) 6 atoms
Sodium (Na) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative (pdb code 4c3u). 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 Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative, PDB code: 4c3u:

Calcium binding site 1 out of 1 in 4c3u

Go back to Calcium Binding Sites List in 4c3u
Calcium binding site 1 out of 1 in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1289

b:29.3
occ:1.00
 OD1 A:ASN77 2.3 29.8 1.0
O A:LEU75 2.3 26.1 1.0
O A:VAL81 2.3 28.0 1.0
O A:THR79 2.4 39.1 1.0
OD1 A:ASP41 2.5 27.7 1.0
OE1 A:GLN2 2.5 27.9 1.0
OD2 A:ASP41 2.6 28.8 1.0
CG A:ASP41 2.9 27.3 1.0
CG A:ASN77 3.3 32.1 1.0
C A:VAL81 3.5 26.9 1.0
C A:LEU75 3.5 28.4 1.0
CD A:GLN2 3.5 29.2 1.0
C A:THR79 3.6 35.5 1.0
N A:VAL81 3.7 25.5 1.0
ND2 A:ASN77 3.8 32.3 1.0
CG A:GLN2 3.9 27.6 1.0
N A:ASN77 4.1 34.3 1.0
C A:GLY80 4.2 29.6 1.0
CA A:VAL81 4.3 25.6 1.0
CA A:GLY80 4.4 32.1 1.0
N A:THR79 4.4 35.2 1.0
N A:LEU75 4.4 26.8 1.0
CA A:LEU75 4.4 25.9 1.0
CB A:ASP41 4.4 27.1 1.0
N A:GLY80 4.4 33.7 1.0
CG2 A:THR79 4.5 37.5 1.0
N A:ASP76 4.5 29.2 1.0
CA A:THR79 4.5 37.0 1.0
N A:LEU82 4.5 26.5 1.0
CA A:ASP76 4.6 32.5 1.0
CB A:ASN77 4.6 30.6 1.0
NE2 A:GLN2 4.7 27.0 1.0
CA A:ASN77 4.7 31.7 1.0
CA A:LEU82 4.7 28.1 1.0
C A:ASP76 4.8 37.6 1.0
C A:ALA74 4.8 25.9 1.0
C A:ASN77 4.8 34.9 1.0
O A:ASN77 4.8 36.0 1.0
CB A:GLN2 4.8 29.7 1.0
CB A:LEU75 4.8 22.5 1.0

Reference:

M.Cianci, J.Negroni, J.R.Helliwell, P.J.Halling. Extensive Counter-Ion Interactions Seen at the Surface of Subtilisin in An Aqueous Medium Rsc Adv 2014.
ISSN: ESSN 2046-2069
DOI: 10.1039/C4RA06448H
Page generated: Tue Jul 8 19:07:55 2025

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