Chlorine in PDB 2xjn: Crystal Structure of Streptococcus Suis Dpr with Copper
Protein crystallography data
The structure of Crystal Structure of Streptococcus Suis Dpr with Copper, PDB code: 2xjn
was solved by
T.Haikarainen,
A.Thanassoulas,
P.Stavros,
G.Nounesis,
S.Haataja,
A.C.Papageorgiou,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
24.76 /
2.10
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
104.840,
137.710,
142.120,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
16 /
21.1
|
Other elements in 2xjn:
The structure of Crystal Structure of Streptococcus Suis Dpr with Copper also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Streptococcus Suis Dpr with Copper
(pdb code 2xjn). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the
Crystal Structure of Streptococcus Suis Dpr with Copper, PDB code: 2xjn:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
Chlorine binding site 1 out
of 5 in 2xjn
Go back to
Chlorine Binding Sites List in 2xjn
Chlorine binding site 1 out
of 5 in the Crystal Structure of Streptococcus Suis Dpr with Copper
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of Streptococcus Suis Dpr with Copper within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl1174
b:19.2
occ:1.00
|
N
|
A:LYS171
|
3.0
|
28.8
|
1.0
|
O
|
I:HOH2051
|
3.1
|
9.5
|
1.0
|
CA
|
A:LYS171
|
3.5
|
31.7
|
1.0
|
CA
|
I:GLY84
|
3.6
|
28.3
|
1.0
|
CB
|
A:ALA169
|
3.7
|
30.1
|
1.0
|
CD
|
A:PRO170
|
3.7
|
26.7
|
1.0
|
N
|
A:PRO170
|
3.9
|
27.0
|
1.0
|
CG
|
A:LYS171
|
4.1
|
34.8
|
1.0
|
C
|
A:PRO170
|
4.2
|
26.7
|
1.0
|
N
|
I:GLY84
|
4.3
|
27.7
|
1.0
|
C
|
A:ALA169
|
4.3
|
27.5
|
1.0
|
O
|
I:HOH2054
|
4.4
|
11.2
|
1.0
|
CA
|
A:PRO170
|
4.4
|
25.8
|
1.0
|
CB
|
A:PRO170
|
4.4
|
25.9
|
1.0
|
CB
|
A:LYS171
|
4.4
|
31.6
|
1.0
|
O
|
K:HOH2020
|
4.4
|
12.4
|
1.0
|
CG
|
A:PRO170
|
4.5
|
25.0
|
1.0
|
C
|
A:LYS171
|
4.6
|
32.0
|
1.0
|
N
|
A:LEU172
|
4.6
|
32.1
|
1.0
|
CA
|
A:ALA169
|
4.6
|
28.9
|
1.0
|
C
|
I:LEU83
|
4.8
|
28.1
|
1.0
|
C
|
I:GLY84
|
4.8
|
29.2
|
1.0
|
O
|
I:LEU83
|
4.9
|
29.4
|
1.0
|
|
Chlorine binding site 2 out
of 5 in 2xjn
Go back to
Chlorine Binding Sites List in 2xjn
Chlorine binding site 2 out
of 5 in the Crystal Structure of Streptococcus Suis Dpr with Copper
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of Streptococcus Suis Dpr with Copper within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl1174
b:20.7
occ:1.00
|
O
|
K:HOH2059
|
3.0
|
11.7
|
1.0
|
N
|
D:LYS171
|
3.1
|
25.6
|
1.0
|
CA
|
D:LYS171
|
3.5
|
30.4
|
1.0
|
CA
|
K:GLY84
|
3.5
|
23.2
|
1.0
|
CD
|
D:PRO170
|
3.6
|
22.4
|
1.0
|
CB
|
D:ALA169
|
3.7
|
25.7
|
1.0
|
N
|
D:PRO170
|
4.0
|
22.7
|
1.0
|
N
|
K:GLY84
|
4.2
|
22.5
|
1.0
|
C
|
D:PRO170
|
4.2
|
24.3
|
1.0
|
CG
|
D:LYS171
|
4.2
|
33.2
|
1.0
|
N
|
D:LEU172
|
4.4
|
31.3
|
1.0
|
C
|
D:ALA169
|
4.4
|
23.2
|
1.0
|
C
|
D:LYS171
|
4.5
|
31.1
|
1.0
|
CB
|
D:LYS171
|
4.5
|
30.9
|
1.0
|
CA
|
D:PRO170
|
4.5
|
22.6
|
1.0
|
CB
|
D:PRO170
|
4.5
|
21.7
|
1.0
|
CG
|
D:PRO170
|
4.5
|
22.9
|
1.0
|
CA
|
D:ALA169
|
4.7
|
23.4
|
1.0
|
C
|
K:LEU83
|
4.7
|
22.4
|
1.0
|
O
|
K:LEU83
|
4.7
|
22.6
|
1.0
|
C
|
K:GLY84
|
4.8
|
23.9
|
1.0
|
O
|
I:HOH2020
|
4.8
|
20.5
|
1.0
|
O
|
K:GLY84
|
5.0
|
25.0
|
1.0
|
|
Chlorine binding site 3 out
of 5 in 2xjn
Go back to
Chlorine Binding Sites List in 2xjn
Chlorine binding site 3 out
of 5 in the Crystal Structure of Streptococcus Suis Dpr with Copper
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of Streptococcus Suis Dpr with Copper within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Cl1175
b:22.9
occ:1.00
|
O
|
F:HOH2020
|
3.1
|
14.2
|
1.0
|
O
|
F:HOH2064
|
3.2
|
9.8
|
1.0
|
N
|
F:ILE111
|
3.4
|
29.7
|
1.0
|
O
|
F:HOH2021
|
3.4
|
11.6
|
1.0
|
CB
|
F:THR110
|
3.8
|
33.3
|
1.0
|
CA
|
F:GLY52
|
3.8
|
26.1
|
1.0
|
CG1
|
F:ILE111
|
3.9
|
27.8
|
1.0
|
CA
|
F:THR110
|
3.9
|
31.8
|
1.0
|
O
|
F:ARG51
|
4.0
|
25.9
|
1.0
|
CB
|
F:ILE111
|
4.0
|
28.6
|
1.0
|
C
|
F:THR110
|
4.2
|
30.7
|
1.0
|
CA
|
F:ILE111
|
4.3
|
28.0
|
1.0
|
CG2
|
F:THR110
|
4.4
|
34.5
|
1.0
|
O
|
F:HOH2011
|
4.5
|
15.3
|
1.0
|
N
|
F:ARG53
|
4.6
|
24.8
|
1.0
|
C
|
F:GLY52
|
4.6
|
24.7
|
1.0
|
C
|
F:ARG51
|
4.8
|
25.7
|
1.0
|
N
|
F:GLY52
|
4.8
|
25.5
|
1.0
|
OG1
|
F:THR110
|
4.9
|
32.2
|
1.0
|
|
Chlorine binding site 4 out
of 5 in 2xjn
Go back to
Chlorine Binding Sites List in 2xjn
Chlorine binding site 4 out
of 5 in the Crystal Structure of Streptococcus Suis Dpr with Copper
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of Streptococcus Suis Dpr with Copper within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl1174
b:19.9
occ:1.00
|
O
|
H:HOH2013
|
2.8
|
8.0
|
1.0
|
O
|
H:HOH2061
|
3.0
|
16.4
|
1.0
|
O
|
H:HOH2014
|
3.4
|
10.0
|
1.0
|
N
|
H:ILE111
|
3.4
|
35.0
|
1.0
|
O
|
H:HOH2012
|
3.5
|
19.4
|
1.0
|
CA
|
H:GLY52
|
3.8
|
26.4
|
1.0
|
CB
|
H:THR110
|
3.8
|
38.0
|
1.0
|
CG1
|
H:ILE111
|
3.8
|
34.1
|
1.0
|
CA
|
H:THR110
|
3.9
|
36.0
|
1.0
|
O
|
H:ARG51
|
4.0
|
30.0
|
1.0
|
C
|
H:THR110
|
4.2
|
35.0
|
1.0
|
CB
|
H:ILE111
|
4.2
|
34.0
|
1.0
|
CA
|
H:ILE111
|
4.4
|
33.4
|
1.0
|
N
|
H:ARG53
|
4.4
|
24.5
|
1.0
|
CG2
|
H:THR110
|
4.4
|
38.3
|
1.0
|
C
|
H:GLY52
|
4.5
|
25.4
|
1.0
|
OE2
|
H:GLU112
|
4.8
|
44.3
|
1.0
|
C
|
H:ARG51
|
4.8
|
27.7
|
1.0
|
N
|
H:GLY52
|
4.8
|
26.1
|
1.0
|
CA
|
H:CA1175
|
4.9
|
29.7
|
1.0
|
OG1
|
H:THR110
|
5.0
|
35.1
|
1.0
|
|
Chlorine binding site 5 out
of 5 in 2xjn
Go back to
Chlorine Binding Sites List in 2xjn
Chlorine binding site 5 out
of 5 in the Crystal Structure of Streptococcus Suis Dpr with Copper
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of Streptococcus Suis Dpr with Copper within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Cl1175
b:22.6
occ:1.00
|
O
|
I:HOH2023
|
2.9
|
11.9
|
1.0
|
N
|
I:ILE111
|
3.3
|
29.3
|
1.0
|
O
|
I:HOH2077
|
3.3
|
7.7
|
1.0
|
O
|
G:HOH2022
|
3.5
|
8.7
|
1.0
|
CG1
|
I:ILE111
|
3.6
|
29.0
|
1.0
|
CB
|
I:THR110
|
3.8
|
31.0
|
1.0
|
CB
|
I:ILE111
|
3.8
|
28.6
|
1.0
|
CA
|
I:THR110
|
3.9
|
30.0
|
1.0
|
O
|
I:ARG51
|
3.9
|
23.2
|
1.0
|
CA
|
I:GLY52
|
4.0
|
22.1
|
1.0
|
C
|
I:THR110
|
4.1
|
29.5
|
1.0
|
CA
|
I:ILE111
|
4.2
|
27.8
|
1.0
|
CG2
|
I:THR110
|
4.5
|
31.3
|
1.0
|
N
|
I:ARG53
|
4.7
|
22.6
|
1.0
|
C
|
I:GLY52
|
4.7
|
22.8
|
1.0
|
O
|
I:HOH2075
|
4.8
|
19.5
|
1.0
|
C
|
I:ARG51
|
4.8
|
22.5
|
1.0
|
OG1
|
I:THR110
|
4.9
|
30.5
|
1.0
|
CA
|
I:CA1176
|
4.9
|
26.6
|
1.0
|
N
|
I:GLY52
|
4.9
|
22.5
|
1.0
|
N
|
I:GLU112
|
4.9
|
28.2
|
1.0
|
|
Reference:
T.Haikarainen,
A.Thanassoulas,
P.Stavros,
G.Nounesis,
S.Haataja,
A.C.Papageorgiou.
Structural and Thermodynamic Characterization of Metal Ion Binding in Streptococcus Suis Dpr. J.Mol.Biol. V. 405 448 2011.
ISSN: ISSN 0022-2836
PubMed: 21056572
DOI: 10.1016/J.JMB.2010.10.058
Page generated: Sat Jul 20 13:53:03 2024
|