Atomistry » Chlorine » PDB 4c00-4c81 » 4c3u
Atomistry »
  Chlorine »
    PDB 4c00-4c81 »
      4c3u »

Chlorine 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
Calcium (Ca) 1 atom
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative, PDB code: 4c3u:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4c3u

Go back to Chlorine Binding Sites List in 4c3u
Chlorine binding site 1 out of 6 in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl1276

b:16.0
occ:1.00
 ND2 A:ASN185 3.0 36.3 1.0
O A:SER184 3.3 40.0 1.0
O A:HOH2086 3.4 30.3 1.0
O A:LEU257 3.8 33.3 1.0
OH A:TYR263 3.8 45.1 1.0
CA A:ASN185 4.1 31.9 1.0
CE1 A:TYR263 4.1 38.4 1.0
CZ A:TYR263 4.2 36.3 1.0
CG A:ASN185 4.2 35.0 1.0
CB A:LEU257 4.2 29.9 1.0
C A:SER184 4.2 34.1 1.0
CD2 A:LEU257 4.4 26.6 1.0
CB A:ASN185 4.6 31.2 1.0
N A:ASN185 4.6 33.7 1.0
C A:LEU257 4.7 30.6 1.0
CG A:LEU257 4.7 29.3 1.0
CA A:LEU257 4.8 31.8 1.0
CD1 A:LEU257 5.0 26.3 1.0

Chlorine binding site 2 out of 6 in 4c3u

Go back to Chlorine Binding Sites List in 4c3u
Chlorine binding site 2 out of 6 in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1277

b:39.4
occ:0.74
 O A:ASN240 3.0 44.5 1.0
NE2 A:GLN245 3.2 39.8 1.0
C A:ASN240 4.1 44.5 1.0
CD A:GLN245 4.2 40.8 1.0
N A:SER242 4.2 34.7 1.0
OE1 A:GLN245 4.2 44.2 1.0
CA A:LEU241 4.4 37.7 1.0
C A:LEU241 4.6 38.4 1.0
N A:LEU241 4.7 41.3 1.0
CB A:SER242 4.8 33.4 1.0
O A:HOH2104 4.8 46.1 1.0

Chlorine binding site 3 out of 6 in 4c3u

Go back to Chlorine Binding Sites List in 4c3u
Chlorine binding site 3 out of 6 in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1278

b:44.6
occ:0.48
 ND2 A:ASN158 2.9 71.3 1.0
O A:ASN158 2.9 56.8 1.0
CG A:ASN158 3.7 62.4 1.0
C A:ASN158 3.9 51.1 1.0
OD1 A:ASN158 4.1 73.2 1.0
CS A:CS1286 4.2 34.6 0.1
O A:HOH2072 4.3 40.4 1.0
N A:ASN158 4.6 47.8 1.0
CA A:ASN158 4.7 53.0 1.0
N A:SER159 4.8 52.3 1.0
CA A:SER159 4.8 53.8 1.0
CB A:ASN158 4.8 51.5 1.0

Chlorine binding site 4 out of 6 in 4c3u

Go back to Chlorine Binding Sites List in 4c3u
Chlorine binding site 4 out of 6 in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1291

b:31.9
occ:0.64
 O A:LYS170 3.0 27.4 1.0
O A:HOH2080 3.5 19.5 1.0
O A:HOH2077 4.0 41.3 1.0
CG A:GLU195 4.1 37.4 1.0
OE2 A:GLU195 4.1 52.7 1.0
C A:LYS170 4.1 27.2 1.0
N A:ASP172 4.3 33.4 1.0
O A:HOH2078 4.3 36.6 1.0
CD A:GLU195 4.6 43.9 1.0
CA A:TYR171 4.6 29.2 1.0
CG A:LYS170 4.6 27.4 1.0
CB A:ASP172 4.7 47.4 1.0
C A:TYR171 4.7 29.7 1.0
N A:TYR171 4.8 26.9 1.0
CA A:ASP172 5.0 38.2 1.0

Chlorine binding site 5 out of 6 in 4c3u

Go back to Chlorine Binding Sites List in 4c3u
Chlorine binding site 5 out of 6 in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1292

b:32.8
occ:0.39
 O A:SER99 3.0 39.1 1.0
O A:HOH2043 3.3 46.8 1.0
C A:SER99 4.1 38.9 1.0
CA A:SER99 4.7 38.5 1.0
CB A:SER99 4.9 40.9 1.0

Chlorine binding site 6 out of 6 in 4c3u

Go back to Chlorine Binding Sites List in 4c3u
Chlorine binding site 6 out of 6 in the Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Extensive Counter-Ion Interactions with Subtilisin in Aqueous Medium, Cs Derivative within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1293

b:25.8
occ:0.27
 O A:ALA194 3.0 33.0 1.0
O A:HOH2089 3.2 38.6 1.0
C A:ALA194 4.0 32.5 1.0
CA A:ALA194 4.8 33.0 1.0
CB A:ALA194 4.8 31.6 1.0
CS A:CS1280 4.9 31.4 0.8
N A:GLU195 4.9 30.2 1.0
CA A:GLU195 4.9 29.5 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: Sat Dec 12 10:28:20 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy