Chlorine in PDB 4xra: Salmonella Typhimurium Ahpc T43S Mutant
Enzymatic activity of Salmonella Typhimurium Ahpc T43S Mutant
All present enzymatic activity of Salmonella Typhimurium Ahpc T43S Mutant:
1.11.1.15;
Protein crystallography data
The structure of Salmonella Typhimurium Ahpc T43S Mutant, PDB code: 4xra
was solved by
A.Perkins,
A.E.Brereton,
K.Nelson,
D.Parsonage,
L.Poole,
P.A.Karplus,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
36.28 /
1.75
|
|
Space group
|
C 2 2 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
127.069,
171.920,
135.290,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.1 /
20
|
Other elements in 4xra:
The structure of Salmonella Typhimurium Ahpc T43S Mutant also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
11;
Binding sites:
The binding sites of Chlorine atom in the Salmonella Typhimurium Ahpc T43S Mutant
(pdb code 4xra). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 11 binding sites of Chlorine where determined in the
Salmonella Typhimurium Ahpc T43S Mutant, PDB code: 4xra:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 1 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:35.0
occ:1.00
|
H
|
A:LEU2
|
2.3
|
30.4
|
1.0
|
|
HB2
|
A:SER1
|
2.8
|
32.9
|
1.0
|
|
HD13
|
A:ILE133
|
2.8
|
26.6
|
1.0
|
|
O
|
B:HOH344
|
2.9
|
30.9
|
1.0
|
|
HA
|
A:SER1
|
3.0
|
29.7
|
1.0
|
|
O
|
A:HOH338
|
3.0
|
30.4
|
1.0
|
|
N
|
A:LEU2
|
3.1
|
25.3
|
1.0
|
|
O
|
A:HOH354
|
3.2
|
32.9
|
1.0
|
|
HB2
|
A:LEU2
|
3.2
|
26.8
|
1.0
|
|
HG
|
A:LEU2
|
3.3
|
33.0
|
1.0
|
|
HE2
|
A:PHE122
|
3.3
|
29.2
|
1.0
|
|
HG21
|
A:ILE133
|
3.4
|
28.0
|
1.0
|
|
HD12
|
A:LEU2
|
3.4
|
34.6
|
1.0
|
|
CB
|
A:SER1
|
3.6
|
27.4
|
1.0
|
|
CA
|
A:SER1
|
3.6
|
24.8
|
1.0
|
|
CD1
|
A:ILE133
|
3.7
|
22.2
|
1.0
|
|
CB
|
A:LEU2
|
3.8
|
22.3
|
1.0
|
|
CG
|
A:LEU2
|
3.8
|
27.5
|
1.0
|
|
C
|
A:SER1
|
3.9
|
27.2
|
1.0
|
|
HB3
|
B:SER1
|
3.9
|
32.7
|
1.0
|
|
HD11
|
A:ILE133
|
4.0
|
26.6
|
1.0
|
|
HD12
|
A:ILE133
|
4.0
|
26.6
|
1.0
|
|
HB3
|
A:SER1
|
4.1
|
32.9
|
1.0
|
|
CD1
|
A:LEU2
|
4.1
|
28.8
|
1.0
|
|
HA
|
B:SER1
|
4.1
|
32.1
|
1.0
|
|
CA
|
A:LEU2
|
4.1
|
21.9
|
1.0
|
|
H1
|
B:SER1
|
4.1
|
34.1
|
1.0
|
|
CE2
|
A:PHE122
|
4.2
|
24.4
|
1.0
|
|
HZ
|
A:PHE122
|
4.3
|
30.6
|
1.0
|
|
CG2
|
A:ILE133
|
4.3
|
23.4
|
1.0
|
|
HB2
|
A:ASP108
|
4.3
|
30.6
|
0.3
|
|
HG23
|
A:ILE133
|
4.4
|
28.0
|
1.0
|
|
HB2
|
B:SER1
|
4.5
|
32.7
|
1.0
|
|
HD11
|
A:LEU2
|
4.5
|
34.6
|
1.0
|
|
CB
|
B:SER1
|
4.5
|
27.2
|
1.0
|
|
HB3
|
A:ASP108
|
4.6
|
31.4
|
0.7
|
|
O
|
B:HOH362
|
4.6
|
39.6
|
1.0
|
|
OG
|
A:SER1
|
4.6
|
23.9
|
1.0
|
|
CA
|
B:SER1
|
4.6
|
26.8
|
1.0
|
|
CZ
|
A:PHE122
|
4.7
|
25.5
|
1.0
|
|
HB3
|
A:LEU2
|
4.7
|
26.8
|
1.0
|
|
CL
|
B:CL202
|
4.8
|
38.1
|
1.0
|
|
HA
|
A:LEU2
|
4.8
|
26.3
|
1.0
|
|
N
|
B:SER1
|
4.8
|
28.4
|
1.0
|
|
CG1
|
A:ILE133
|
4.8
|
26.0
|
1.0
|
|
HD13
|
A:LEU2
|
4.8
|
34.6
|
1.0
|
|
HG22
|
A:ILE133
|
4.8
|
28.0
|
1.0
|
|
O
|
A:PHE107
|
4.9
|
25.4
|
1.0
|
|
H
|
A:ILE3
|
4.9
|
27.2
|
1.0
|
|
HG12
|
A:ILE133
|
4.9
|
31.2
|
1.0
|
|
N
|
A:SER1
|
5.0
|
26.3
|
1.0
|
|
Chlorine binding site 2 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 2 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:80.4
occ:0.50
|
O
|
A:HOH321
|
2.1
|
40.5
|
1.0
|
|
O
|
A:HOH322
|
2.2
|
33.5
|
0.5
|
|
HH22
|
A:ARG105
|
3.0
|
46.0
|
1.0
|
|
O
|
A:HOH322
|
3.5
|
24.0
|
0.5
|
|
HH12
|
A:ARG105
|
3.8
|
45.4
|
1.0
|
|
NH2
|
A:ARG105
|
3.8
|
38.3
|
1.0
|
|
O
|
A:HOH314
|
4.0
|
28.4
|
1.0
|
|
HH21
|
A:ARG105
|
4.3
|
46.0
|
1.0
|
|
NH1
|
A:ARG105
|
4.5
|
37.9
|
1.0
|
|
CZ
|
A:ARG105
|
4.6
|
39.5
|
1.0
|
|
HE2
|
A:MET110
|
4.9
|
34.9
|
1.0
|
|
HA2
|
A:GLY115
|
4.9
|
28.6
|
1.0
|
|
O
|
A:THR100
|
4.9
|
25.7
|
1.0
|
|
Chlorine binding site 3 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 3 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl203
b:74.5
occ:0.70
|
SG
|
A:CYS165
|
2.9
|
88.6
|
0.3
|
|
SG
|
A:CYS165
|
4.0
|
0.2
|
0.7
|
|
CB
|
A:CYS165
|
4.0
|
0.5
|
0.3
|
|
CB
|
A:CYS165
|
4.1
|
0.4
|
0.7
|
|
Chlorine binding site 4 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 4 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl202
b:38.1
occ:1.00
|
H
|
B:LEU2
|
2.3
|
34.6
|
1.0
|
|
HB2
|
B:SER1
|
2.8
|
32.7
|
1.0
|
|
HD13
|
B:ILE133
|
2.8
|
29.8
|
1.0
|
|
O
|
B:HOH344
|
2.9
|
30.9
|
1.0
|
|
O
|
B:HOH326
|
2.9
|
31.1
|
1.0
|
|
HA
|
B:SER1
|
3.0
|
32.1
|
1.0
|
|
N
|
B:LEU2
|
3.1
|
28.8
|
1.0
|
|
O
|
B:HOH362
|
3.2
|
39.6
|
1.0
|
|
HE2
|
B:PHE122
|
3.2
|
30.5
|
1.0
|
|
HB2
|
B:LEU2
|
3.2
|
28.8
|
1.0
|
|
HG
|
B:LEU2
|
3.3
|
34.2
|
1.0
|
|
HG21
|
B:ILE133
|
3.4
|
30.7
|
1.0
|
|
HD12
|
B:LEU2
|
3.5
|
32.2
|
1.0
|
|
CA
|
B:SER1
|
3.6
|
26.8
|
1.0
|
|
CB
|
B:SER1
|
3.6
|
27.2
|
1.0
|
|
CD1
|
B:ILE133
|
3.7
|
24.8
|
1.0
|
|
CB
|
B:LEU2
|
3.8
|
24.0
|
1.0
|
|
C
|
B:SER1
|
3.8
|
28.8
|
1.0
|
|
CG
|
B:LEU2
|
3.9
|
28.5
|
1.0
|
|
HB3
|
A:SER1
|
3.9
|
32.9
|
1.0
|
|
HD12
|
B:ILE133
|
4.0
|
29.8
|
1.0
|
|
HD11
|
B:ILE133
|
4.0
|
29.8
|
1.0
|
|
CE2
|
B:PHE122
|
4.0
|
25.4
|
1.0
|
|
HA
|
A:SER1
|
4.1
|
29.7
|
1.0
|
|
H1
|
A:SER1
|
4.1
|
31.5
|
1.0
|
|
CA
|
B:LEU2
|
4.1
|
26.3
|
1.0
|
|
HZ
|
B:PHE122
|
4.1
|
29.2
|
1.0
|
|
HB3
|
B:SER1
|
4.1
|
32.7
|
1.0
|
|
CD1
|
B:LEU2
|
4.1
|
26.8
|
1.0
|
|
CG2
|
B:ILE133
|
4.4
|
25.6
|
1.0
|
|
HB2
|
A:SER1
|
4.5
|
32.9
|
1.0
|
|
CZ
|
B:PHE122
|
4.5
|
24.4
|
1.0
|
|
CB
|
A:SER1
|
4.5
|
27.4
|
1.0
|
|
O
|
A:HOH354
|
4.6
|
32.9
|
1.0
|
|
HD11
|
B:LEU2
|
4.6
|
32.2
|
1.0
|
|
HG23
|
B:ILE133
|
4.6
|
30.7
|
1.0
|
|
OG
|
B:SER1
|
4.6
|
27.0
|
1.0
|
|
CA
|
A:SER1
|
4.6
|
24.8
|
1.0
|
|
HB3
|
B:LEU2
|
4.7
|
28.8
|
1.0
|
|
HB2
|
B:ASP108
|
4.7
|
34.6
|
0.2
|
|
HB3
|
B:ASP108
|
4.7
|
36.0
|
0.8
|
|
N
|
A:SER1
|
4.8
|
26.3
|
1.0
|
|
HA
|
B:LEU2
|
4.8
|
31.5
|
1.0
|
|
CL
|
A:CL201
|
4.8
|
35.0
|
1.0
|
|
CG1
|
B:ILE133
|
4.8
|
23.6
|
1.0
|
|
O
|
B:PHE107
|
4.9
|
24.5
|
1.0
|
|
H
|
B:ILE3
|
4.9
|
28.6
|
1.0
|
|
HG12
|
B:ILE133
|
4.9
|
28.4
|
1.0
|
|
HD13
|
B:LEU2
|
4.9
|
32.2
|
1.0
|
|
HG22
|
B:ILE133
|
4.9
|
30.7
|
1.0
|
|
N
|
B:SER1
|
4.9
|
28.4
|
1.0
|
|
Chlorine binding site 5 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 5 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl201
b:42.5
occ:1.00
|
H
|
C:LEU2
|
2.3
|
37.4
|
1.0
|
|
HD13
|
C:ILE133
|
2.8
|
33.3
|
1.0
|
|
HB2
|
C:SER1
|
2.9
|
40.5
|
1.0
|
|
O
|
D:HOH343
|
2.9
|
33.7
|
1.0
|
|
HA
|
C:SER1
|
3.0
|
46.3
|
1.0
|
|
O
|
D:HOH325
|
3.0
|
28.9
|
1.0
|
|
O
|
C:HOH355
|
3.1
|
35.0
|
1.0
|
|
N
|
C:LEU2
|
3.1
|
31.1
|
1.0
|
|
HE2
|
C:PHE122
|
3.2
|
34.4
|
1.0
|
|
HB2
|
C:LEU2
|
3.2
|
35.8
|
1.0
|
|
HG
|
C:LEU2
|
3.3
|
41.5
|
1.0
|
|
HG21
|
C:ILE133
|
3.4
|
35.6
|
1.0
|
|
HD12
|
C:LEU2
|
3.5
|
41.6
|
1.0
|
|
CA
|
C:SER1
|
3.6
|
38.6
|
1.0
|
|
CB
|
C:SER1
|
3.6
|
33.8
|
1.0
|
|
CD1
|
C:ILE133
|
3.7
|
27.8
|
1.0
|
|
CB
|
C:LEU2
|
3.8
|
29.8
|
1.0
|
|
C
|
C:SER1
|
3.8
|
39.4
|
1.0
|
|
CG
|
C:LEU2
|
3.9
|
34.6
|
1.0
|
|
HB3
|
D:SER1
|
3.9
|
39.9
|
1.0
|
|
HA
|
D:SER1
|
3.9
|
42.2
|
1.0
|
|
HD12
|
C:ILE133
|
4.0
|
33.3
|
1.0
|
|
HD11
|
C:ILE133
|
4.0
|
33.3
|
1.0
|
|
CE2
|
C:PHE122
|
4.1
|
28.6
|
1.0
|
|
H1
|
D:SER1
|
4.1
|
45.4
|
1.0
|
|
CA
|
C:LEU2
|
4.1
|
28.4
|
1.0
|
|
HB3
|
C:SER1
|
4.1
|
40.5
|
1.0
|
|
CD1
|
C:LEU2
|
4.1
|
34.7
|
1.0
|
|
HZ
|
C:PHE122
|
4.2
|
33.7
|
1.0
|
|
CG2
|
C:ILE133
|
4.3
|
29.6
|
1.0
|
|
HB2
|
D:SER1
|
4.3
|
39.9
|
1.0
|
|
CB
|
D:SER1
|
4.4
|
33.3
|
1.0
|
|
CA
|
D:SER1
|
4.5
|
35.2
|
1.0
|
|
HG23
|
C:ILE133
|
4.5
|
35.6
|
1.0
|
|
HD11
|
C:LEU2
|
4.6
|
41.6
|
1.0
|
|
CZ
|
C:PHE122
|
4.6
|
28.1
|
1.0
|
|
O
|
D:HOH390
|
4.7
|
37.9
|
1.0
|
|
OG
|
C:SER1
|
4.7
|
28.5
|
1.0
|
|
HB3
|
C:LEU2
|
4.7
|
35.8
|
1.0
|
|
HB2
|
C:ASP108
|
4.7
|
34.1
|
0.3
|
|
HB3
|
C:ASP108
|
4.7
|
36.5
|
0.7
|
|
CL
|
D:CL201
|
4.7
|
40.8
|
1.0
|
|
N
|
D:SER1
|
4.8
|
37.9
|
1.0
|
|
CG1
|
C:ILE133
|
4.8
|
28.6
|
1.0
|
|
HA
|
C:LEU2
|
4.8
|
34.0
|
1.0
|
|
HG12
|
C:ILE133
|
4.8
|
34.3
|
1.0
|
|
H
|
C:ILE3
|
4.8
|
36.6
|
1.0
|
|
HG22
|
C:ILE133
|
4.9
|
35.6
|
1.0
|
|
HD13
|
C:LEU2
|
4.9
|
41.6
|
1.0
|
|
O
|
C:PHE107
|
4.9
|
28.2
|
1.0
|
|
N
|
C:SER1
|
5.0
|
38.1
|
1.0
|
|
Chlorine binding site 6 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 6 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl202
b:53.0
occ:0.50
|
CL
|
C:CL202
|
0.0
|
53.0
|
0.5
|
|
O
|
B:HOH460
|
0.3
|
50.6
|
0.5
|
|
HH22
|
C:ARG105
|
2.5
|
54.9
|
1.0
|
|
CL
|
C:CL202
|
2.6
|
57.7
|
0.5
|
|
O
|
C:HOH429
|
2.6
|
29.2
|
0.5
|
|
HH12
|
C:ARG105
|
2.7
|
51.3
|
1.0
|
|
O
|
B:HOH460
|
2.8
|
53.8
|
0.5
|
|
O
|
C:HOH392
|
2.9
|
33.0
|
1.0
|
|
NH2
|
C:ARG105
|
3.3
|
45.8
|
1.0
|
|
HE3
|
C:MET110
|
3.5
|
31.5
|
1.0
|
|
NH1
|
C:ARG105
|
3.5
|
42.7
|
1.0
|
|
O
|
C:HOH429
|
3.7
|
25.2
|
0.5
|
|
O
|
B:HOH446
|
3.8
|
31.9
|
0.5
|
|
CZ
|
C:ARG105
|
3.9
|
43.8
|
1.0
|
|
HA3
|
C:GLY101
|
3.9
|
30.3
|
1.0
|
|
HH21
|
C:ARG105
|
4.0
|
54.9
|
1.0
|
|
O
|
C:THR100
|
4.1
|
26.1
|
1.0
|
|
HA2
|
C:GLY115
|
4.2
|
30.4
|
1.0
|
|
HH11
|
C:ARG105
|
4.2
|
51.3
|
1.0
|
|
O
|
B:PRO99
|
4.3
|
24.8
|
1.0
|
|
HA
|
B:THR100
|
4.3
|
31.1
|
1.0
|
|
CE
|
C:MET110
|
4.3
|
26.2
|
1.0
|
|
HE1
|
C:MET110
|
4.3
|
31.5
|
1.0
|
|
O
|
B:HOH434
|
4.4
|
34.1
|
1.0
|
|
O
|
B:THR100
|
4.5
|
25.1
|
1.0
|
|
O
|
B:HOH430
|
4.5
|
58.9
|
1.0
|
|
O
|
B:HOH399
|
4.5
|
51.0
|
1.0
|
|
HH12
|
B:ARG105
|
4.5
|
40.9
|
1.0
|
|
HH22
|
B:ARG105
|
4.5
|
46.1
|
1.0
|
|
O
|
B:HOH351
|
4.5
|
29.5
|
1.0
|
|
C
|
C:THR100
|
4.5
|
27.2
|
1.0
|
|
O
|
C:PRO99
|
4.6
|
24.8
|
1.0
|
|
CA
|
C:GLY101
|
4.7
|
25.2
|
1.0
|
|
HA3
|
C:GLY115
|
4.8
|
30.4
|
1.0
|
|
N
|
C:GLY101
|
4.8
|
24.9
|
1.0
|
|
HG2
|
C:MET110
|
4.9
|
30.0
|
1.0
|
|
C
|
B:THR100
|
4.9
|
27.6
|
1.0
|
|
CA
|
C:GLY115
|
4.9
|
25.3
|
1.0
|
|
Chlorine binding site 7 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 7 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl202
b:57.7
occ:0.50
|
CL
|
C:CL202
|
0.0
|
57.7
|
0.5
|
|
O
|
B:HOH460
|
0.2
|
53.8
|
0.5
|
|
HH22
|
B:ARG105
|
2.4
|
46.1
|
1.0
|
|
CL
|
C:CL202
|
2.6
|
53.0
|
0.5
|
|
O
|
B:HOH446
|
2.7
|
31.9
|
0.5
|
|
O
|
B:HOH434
|
2.8
|
34.1
|
1.0
|
|
HH12
|
B:ARG105
|
2.9
|
40.9
|
1.0
|
|
O
|
B:HOH460
|
2.9
|
50.6
|
0.5
|
|
NH2
|
B:ARG105
|
3.3
|
38.4
|
1.0
|
|
HE3
|
B:MET110
|
3.6
|
38.6
|
1.0
|
|
NH1
|
B:ARG105
|
3.6
|
34.1
|
1.0
|
|
O
|
B:HOH446
|
3.7
|
23.0
|
0.5
|
|
HA3
|
B:GLY101
|
3.8
|
29.3
|
1.0
|
|
O
|
C:HOH429
|
3.8
|
29.2
|
0.5
|
|
HH21
|
B:ARG105
|
3.9
|
46.1
|
1.0
|
|
O
|
B:THR100
|
3.9
|
25.1
|
1.0
|
|
CZ
|
B:ARG105
|
3.9
|
36.2
|
1.0
|
|
O
|
C:HOH392
|
4.3
|
33.0
|
1.0
|
|
HE1
|
B:MET110
|
4.3
|
38.6
|
1.0
|
|
O
|
B:HOH430
|
4.3
|
58.9
|
1.0
|
|
HH11
|
B:ARG105
|
4.3
|
40.9
|
1.0
|
|
O
|
C:PRO99
|
4.3
|
24.8
|
1.0
|
|
CE
|
B:MET110
|
4.4
|
32.2
|
1.0
|
|
HA2
|
B:GLY115
|
4.4
|
27.9
|
1.0
|
|
C
|
B:THR100
|
4.4
|
27.6
|
1.0
|
|
HA
|
C:THR100
|
4.4
|
27.2
|
1.0
|
|
HH12
|
C:ARG105
|
4.5
|
51.3
|
1.0
|
|
O
|
B:PRO99
|
4.5
|
24.8
|
1.0
|
|
O
|
B:HOH399
|
4.5
|
51.0
|
1.0
|
|
O
|
C:HOH322
|
4.5
|
28.4
|
1.0
|
|
O
|
C:THR100
|
4.6
|
26.1
|
1.0
|
|
CA
|
B:GLY101
|
4.6
|
24.4
|
1.0
|
|
HH22
|
C:ARG105
|
4.7
|
54.9
|
1.0
|
|
N
|
B:GLY101
|
4.7
|
22.8
|
1.0
|
|
HA
|
B:THR100
|
4.9
|
31.1
|
1.0
|
|
HA3
|
B:GLY115
|
4.9
|
27.9
|
1.0
|
|
C
|
C:THR100
|
5.0
|
27.2
|
1.0
|
|
Chlorine binding site 8 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 8 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl201
b:40.8
occ:1.00
|
H
|
D:LEU2
|
2.3
|
33.8
|
1.0
|
|
HD13
|
D:ILE133
|
2.8
|
32.3
|
1.0
|
|
O
|
D:HOH343
|
2.8
|
33.7
|
1.0
|
|
HB2
|
D:SER1
|
2.9
|
39.9
|
1.0
|
|
O
|
D:HOH338
|
3.0
|
30.3
|
1.0
|
|
HA
|
D:SER1
|
3.1
|
42.2
|
1.0
|
|
O
|
D:HOH390
|
3.1
|
37.9
|
1.0
|
|
N
|
D:LEU2
|
3.1
|
28.1
|
1.0
|
|
HB2
|
D:LEU2
|
3.2
|
32.6
|
1.0
|
|
HE2
|
D:PHE122
|
3.2
|
36.6
|
1.0
|
|
HG
|
D:LEU2
|
3.3
|
35.1
|
1.0
|
|
HD12
|
D:LEU2
|
3.3
|
36.9
|
1.0
|
|
HG21
|
D:ILE133
|
3.4
|
30.9
|
1.0
|
|
CA
|
D:SER1
|
3.7
|
35.2
|
1.0
|
|
CD1
|
D:ILE133
|
3.7
|
26.9
|
1.0
|
|
CB
|
D:SER1
|
3.7
|
33.3
|
1.0
|
|
CB
|
D:LEU2
|
3.8
|
27.2
|
1.0
|
|
CG
|
D:LEU2
|
3.8
|
29.2
|
1.0
|
|
C
|
D:SER1
|
3.9
|
30.6
|
1.0
|
|
HB3
|
C:SER1
|
3.9
|
40.5
|
1.0
|
|
HA
|
C:SER1
|
3.9
|
46.3
|
1.0
|
|
HD11
|
D:ILE133
|
4.0
|
32.3
|
1.0
|
|
CD1
|
D:LEU2
|
4.0
|
30.7
|
1.0
|
|
HD12
|
D:ILE133
|
4.0
|
32.3
|
1.0
|
|
CE2
|
D:PHE122
|
4.0
|
30.5
|
1.0
|
|
CA
|
D:LEU2
|
4.1
|
26.4
|
1.0
|
|
H1
|
C:SER1
|
4.1
|
45.7
|
1.0
|
|
HZ
|
D:PHE122
|
4.1
|
35.2
|
1.0
|
|
HB3
|
D:SER1
|
4.3
|
39.9
|
1.0
|
|
CG2
|
D:ILE133
|
4.3
|
25.7
|
1.0
|
|
HD11
|
D:LEU2
|
4.4
|
36.9
|
1.0
|
|
CB
|
C:SER1
|
4.5
|
33.8
|
1.0
|
|
HB2
|
C:SER1
|
4.5
|
40.5
|
1.0
|
|
HG23
|
D:ILE133
|
4.5
|
30.9
|
1.0
|
|
CZ
|
D:PHE122
|
4.5
|
29.4
|
1.0
|
|
CA
|
C:SER1
|
4.5
|
38.6
|
1.0
|
|
HB3
|
D:ASP108
|
4.6
|
36.2
|
0.6
|
|
HB2
|
D:ASP108
|
4.6
|
35.1
|
0.4
|
|
OG
|
D:SER1
|
4.7
|
27.9
|
1.0
|
|
HB3
|
D:LEU2
|
4.7
|
32.6
|
1.0
|
|
O
|
C:HOH355
|
4.7
|
35.0
|
1.0
|
|
CL
|
C:CL201
|
4.7
|
42.5
|
1.0
|
|
HD13
|
D:LEU2
|
4.8
|
36.9
|
1.0
|
|
HA
|
D:LEU2
|
4.8
|
31.7
|
1.0
|
|
N
|
C:SER1
|
4.8
|
38.1
|
1.0
|
|
CG1
|
D:ILE133
|
4.8
|
27.8
|
1.0
|
|
HG12
|
D:ILE133
|
4.8
|
33.4
|
1.0
|
|
O
|
D:PHE107
|
4.9
|
27.2
|
1.0
|
|
H
|
D:ILE3
|
4.9
|
32.4
|
1.0
|
|
HG22
|
D:ILE133
|
4.9
|
30.9
|
1.0
|
|
Chlorine binding site 9 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 9 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl202
b:60.9
occ:0.50
|
CL
|
D:CL202
|
0.0
|
60.9
|
0.5
|
|
O
|
E:HOH383
|
0.1
|
61.8
|
0.5
|
|
HH22
|
D:ARG105
|
2.5
|
65.0
|
1.0
|
|
HH12
|
D:ARG105
|
2.6
|
49.9
|
1.0
|
|
O
|
D:HOH361
|
2.6
|
39.3
|
1.0
|
|
O
|
D:HOH461
|
2.8
|
38.4
|
0.5
|
|
CL
|
D:CL202
|
2.8
|
56.2
|
0.5
|
|
O
|
E:HOH383
|
2.9
|
54.7
|
0.5
|
|
NH2
|
D:ARG105
|
3.3
|
54.2
|
1.0
|
|
NH1
|
D:ARG105
|
3.4
|
41.6
|
1.0
|
|
HE3
|
D:MET110
|
3.5
|
38.1
|
1.0
|
|
HA3
|
D:GLY101
|
3.7
|
35.8
|
1.0
|
|
CZ
|
D:ARG105
|
3.8
|
47.7
|
1.0
|
|
O
|
E:HOH380
|
3.9
|
42.6
|
0.5
|
|
HH21
|
D:ARG105
|
3.9
|
65.0
|
1.0
|
|
O
|
D:THR100
|
4.0
|
29.9
|
1.0
|
|
O
|
D:HOH461
|
4.0
|
28.6
|
0.5
|
|
HH11
|
D:ARG105
|
4.1
|
49.9
|
1.0
|
|
CE
|
D:MET110
|
4.3
|
31.8
|
1.0
|
|
HE1
|
D:MET110
|
4.3
|
38.1
|
1.0
|
|
O
|
E:HOH372
|
4.3
|
35.3
|
1.0
|
|
HA2
|
D:GLY115
|
4.3
|
36.0
|
1.0
|
|
O
|
E:PRO99
|
4.4
|
32.6
|
1.0
|
|
C
|
D:THR100
|
4.4
|
27.8
|
1.0
|
|
HH12
|
E:ARG105
|
4.4
|
46.9
|
1.0
|
|
O
|
D:PRO99
|
4.5
|
31.5
|
1.0
|
|
HA
|
E:THR100
|
4.5
|
40.5
|
1.0
|
|
O
|
E:HOH336
|
4.5
|
35.1
|
1.0
|
|
CA
|
D:GLY101
|
4.5
|
29.8
|
1.0
|
|
O
|
E:THR100
|
4.6
|
33.7
|
1.0
|
|
N
|
D:GLY101
|
4.7
|
28.8
|
1.0
|
|
HH22
|
E:ARG105
|
4.7
|
60.5
|
1.0
|
|
HA3
|
D:GLY115
|
4.8
|
36.0
|
1.0
|
|
HG2
|
D:MET110
|
4.8
|
38.4
|
1.0
|
|
HA2
|
D:GLY101
|
4.9
|
35.8
|
1.0
|
|
HA
|
D:THR100
|
4.9
|
33.1
|
1.0
|
|
SD
|
D:MET110
|
5.0
|
36.3
|
1.0
|
|
Chlorine binding site 10 out
of 11 in 4xra
Go back to
Chlorine Binding Sites List in 4xra
Chlorine binding site 10 out
of 11 in the Salmonella Typhimurium Ahpc T43S Mutant
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Salmonella Typhimurium Ahpc T43S Mutant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl202
b:56.2
occ:0.50
|
CL
|
D:CL202
|
0.0
|
56.2
|
0.5
|
|
O
|
E:HOH383
|
0.1
|
54.7
|
0.5
|
|
HH22
|
E:ARG105
|
2.5
|
60.5
|
1.0
|
|
HH12
|
E:ARG105
|
2.5
|
46.9
|
1.0
|
|
O
|
E:HOH383
|
2.7
|
61.8
|
0.5
|
|
O
|
E:HOH380
|
2.7
|
42.6
|
0.5
|
|
O
|
E:HOH372
|
2.8
|
35.3
|
1.0
|
|
CL
|
D:CL202
|
2.8
|
60.9
|
0.5
|
|
HE3
|
E:MET110
|
3.3
|
45.8
|
1.0
|
|
NH2
|
E:ARG105
|
3.3
|
50.4
|
1.0
|
|
NH1
|
E:ARG105
|
3.3
|
39.1
|
1.0
|
|
HA3
|
E:GLY101
|
3.6
|
37.6
|
1.0
|
|
CZ
|
E:ARG105
|
3.7
|
43.4
|
1.0
|
|
O
|
E:HOH380
|
3.8
|
29.4
|
0.5
|
|
O
|
E:THR100
|
3.8
|
33.7
|
1.0
|
|
O
|
D:HOH461
|
3.9
|
38.4
|
0.5
|
|
HH21
|
E:ARG105
|
4.0
|
60.5
|
1.0
|
|
HH11
|
E:ARG105
|
4.0
|
46.9
|
1.0
|
|
HE1
|
E:MET110
|
4.0
|
45.8
|
1.0
|
|
CE
|
E:MET110
|
4.0
|
38.2
|
1.0
|
|
O
|
D:HOH361
|
4.3
|
39.3
|
1.0
|
|
HA2
|
E:GLY115
|
4.3
|
38.6
|
1.0
|
|
O
|
D:PRO99
|
4.3
|
31.5
|
1.0
|
|
C
|
E:THR100
|
4.4
|
34.4
|
1.0
|
|
HA
|
D:THR100
|
4.5
|
33.1
|
1.0
|
|
CA
|
E:GLY101
|
4.5
|
31.3
|
1.0
|
|
O
|
D:HOH418
|
4.5
|
35.5
|
1.0
|
|
O
|
E:PRO99
|
4.5
|
32.6
|
1.0
|
|
HH12
|
D:ARG105
|
4.5
|
49.9
|
1.0
|
|
N
|
E:GLY101
|
4.7
|
31.6
|
1.0
|
|
HH22
|
D:ARG105
|
4.7
|
65.0
|
1.0
|
|
O
|
D:THR100
|
4.7
|
29.9
|
1.0
|
|
HE2
|
E:MET110
|
4.8
|
45.8
|
1.0
|
|
HA2
|
E:GLY101
|
4.8
|
37.6
|
1.0
|
|
HG2
|
E:MET110
|
4.9
|
45.2
|
1.0
|
|
SD
|
E:MET110
|
4.9
|
37.1
|
1.0
|
|
Reference:
K.J.Nelson,
A.Perkins,
A.E.D.Van Swearingen,
S.Hartman,
A.E.Brereton,
D.Parsonage,
F.R.Salsbury Jr.,
P.A.Karplus,
L.B.Poole.
Experimentally Dissecting the Origins of Peroxiredoxin Catalysis. Antioxid.Redox Signal. V. 28 521 2018.
ISSN: ESSN 1557-7716
PubMed: 28375740
DOI: 10.1089/ARS.2016.6922
Page generated: Fri Jul 26 03:37:01 2024
|
