Chlorine in PDB 6fpi: Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
Enzymatic activity of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
All present enzymatic activity of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q:
1.12.99.6;
Protein crystallography data
The structure of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q, PDB code: 6fpi
was solved by
S.B.Carr,
F.A.Armstrong,
R.M.Evans,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
83.51 /
1.50
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
93.820,
97.730,
183.200,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
14.5 /
16.7
|
Other elements in 6fpi:
The structure of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
(pdb code 6fpi). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the
Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q, PDB code: 6fpi:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
Chlorine binding site 1 out
of 6 in 6fpi
Go back to
Chlorine Binding Sites List in 6fpi
Chlorine binding site 1 out
of 6 in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Cl405
b:19.5
occ:1.00
|
H
|
S:GLY256
|
2.1
|
16.5
|
1.0
|
|
H
|
S:CYS120
|
2.2
|
13.8
|
1.0
|
|
O
|
S:HOH592
|
3.0
|
17.1
|
1.0
|
|
HB2
|
S:TRP118
|
3.0
|
18.6
|
1.0
|
|
N
|
S:GLY256
|
3.1
|
16.6
|
1.0
|
|
N
|
S:CYS120
|
3.1
|
14.0
|
1.0
|
|
HA
|
S:CYS120
|
3.2
|
13.3
|
1.0
|
|
O
|
S:HOH651
|
3.2
|
28.1
|
1.0
|
|
HA2
|
S:GLY256
|
3.2
|
16.6
|
1.0
|
|
HB3
|
S:TRP118
|
3.3
|
18.6
|
1.0
|
|
HG21
|
S:THR114
|
3.5
|
14.3
|
1.0
|
|
HA
|
S:ASN255
|
3.5
|
16.2
|
1.0
|
|
HG23
|
S:THR114
|
3.5
|
14.3
|
1.0
|
|
CB
|
S:TRP118
|
3.7
|
19.2
|
1.0
|
|
CA
|
S:CYS120
|
3.7
|
13.0
|
1.0
|
|
CA
|
S:GLY256
|
3.7
|
16.7
|
1.0
|
|
H
|
S:PHE257
|
3.7
|
16.0
|
1.0
|
|
HG22
|
S:THR114
|
3.8
|
14.3
|
1.0
|
|
HD1
|
S:TRP258
|
3.8
|
14.2
|
1.0
|
|
CG2
|
S:THR114
|
3.8
|
14.8
|
1.0
|
|
HD1
|
S:PHE257
|
4.0
|
15.3
|
1.0
|
|
N
|
S:GLY119
|
4.0
|
15.0
|
1.0
|
|
C
|
S:TRP118
|
4.1
|
16.9
|
1.0
|
|
HA3
|
S:GLY119
|
4.1
|
14.6
|
1.0
|
|
C
|
S:ASN255
|
4.1
|
15.9
|
1.0
|
|
C
|
S:GLY119
|
4.2
|
14.3
|
1.0
|
|
CA
|
S:ASN255
|
4.3
|
16.3
|
1.0
|
|
H
|
S:GLY119
|
4.3
|
15.3
|
1.0
|
|
OD1
|
S:ASN255
|
4.3
|
21.8
|
1.0
|
|
O
|
S:TRP118
|
4.3
|
19.0
|
1.0
|
|
CA
|
S:GLY119
|
4.3
|
14.6
|
1.0
|
|
O
|
S:GLU254
|
4.3
|
15.0
|
1.0
|
|
N
|
S:PHE257
|
4.4
|
16.0
|
1.0
|
|
O
|
S:CYS120
|
4.4
|
13.5
|
1.0
|
|
HA3
|
S:GLY256
|
4.5
|
16.6
|
1.0
|
|
C
|
S:CYS120
|
4.5
|
13.3
|
1.0
|
|
C
|
S:GLY256
|
4.5
|
16.4
|
1.0
|
|
O
|
S:HOH645
|
4.5
|
25.7
|
1.0
|
|
HD1
|
S:TRP118
|
4.5
|
22.1
|
1.0
|
|
HB3
|
S:ALA123
|
4.5
|
15.3
|
1.0
|
|
CA
|
S:TRP118
|
4.6
|
15.7
|
1.0
|
|
CD1
|
S:TRP258
|
4.6
|
14.4
|
1.0
|
|
H
|
S:TRP258
|
4.6
|
14.1
|
1.0
|
|
CG
|
S:TRP118
|
4.6
|
20.4
|
1.0
|
|
HE1
|
S:PHE257
|
4.7
|
15.7
|
1.0
|
|
CD1
|
S:PHE257
|
4.7
|
15.3
|
1.0
|
|
O
|
S:HOH619
|
4.8
|
33.3
|
1.0
|
|
HB2
|
S:CYS120
|
4.8
|
13.4
|
1.0
|
|
HE1
|
S:TRP258
|
4.8
|
14.1
|
1.0
|
|
O
|
S:THR114
|
4.9
|
12.7
|
1.0
|
|
CB
|
S:CYS120
|
4.9
|
13.3
|
1.0
|
|
CD1
|
S:TRP118
|
4.9
|
22.0
|
1.0
|
|
Chlorine binding site 2 out
of 6 in 6fpi
Go back to
Chlorine Binding Sites List in 6fpi
Chlorine binding site 2 out
of 6 in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Cl406
b:25.4
occ:1.00
|
H
|
S:HIS13
|
2.3
|
15.8
|
1.0
|
|
HZ3
|
S:LYS98
|
2.3
|
28.8
|
1.0
|
|
HA
|
S:ILE12
|
2.9
|
16.0
|
1.0
|
|
HB
|
S:ILE12
|
2.9
|
17.3
|
1.0
|
|
O
|
S:HOH585
|
3.0
|
36.4
|
1.0
|
|
O
|
S:HOH559
|
3.0
|
30.4
|
1.0
|
|
HE1
|
S:TYR44
|
3.2
|
18.4
|
1.0
|
|
NZ
|
S:LYS98
|
3.2
|
29.2
|
1.0
|
|
N
|
S:HIS13
|
3.2
|
15.9
|
1.0
|
|
O
|
S:HOH539
|
3.2
|
28.6
|
0.5
|
|
HG21
|
S:ILE12
|
3.4
|
18.0
|
1.0
|
|
HE2
|
S:LYS98
|
3.4
|
27.6
|
1.0
|
|
HD3
|
S:LYS98
|
3.5
|
25.8
|
1.0
|
|
OD2
|
S:ASP46
|
3.5
|
29.9
|
1.0
|
|
CB
|
S:ILE12
|
3.6
|
17.6
|
1.0
|
|
CA
|
S:ILE12
|
3.6
|
15.9
|
1.0
|
|
HZ2
|
S:LYS98
|
3.6
|
28.7
|
1.0
|
|
HE1
|
S:PHE95
|
3.7
|
17.5
|
1.0
|
|
HB2
|
S:HIS13
|
3.7
|
17.8
|
1.0
|
|
CE
|
S:LYS98
|
3.8
|
27.9
|
1.0
|
|
HZ1
|
S:LYS98
|
3.8
|
28.7
|
1.0
|
|
O
|
S:HIS13
|
3.8
|
17.4
|
1.0
|
|
HD2
|
S:HIS13
|
3.8
|
20.8
|
1.0
|
|
CG2
|
S:ILE12
|
3.9
|
18.1
|
1.0
|
|
C
|
S:ILE12
|
3.9
|
15.7
|
1.0
|
|
CG
|
S:ASP46
|
4.1
|
30.7
|
1.0
|
|
HG22
|
S:ILE12
|
4.1
|
18.0
|
1.0
|
|
CE1
|
S:TYR44
|
4.1
|
18.6
|
1.0
|
|
CD
|
S:LYS98
|
4.1
|
25.7
|
1.0
|
|
HH
|
S:TYR44
|
4.2
|
21.4
|
0.0
|
|
HE1
|
L:HIS30
|
4.2
|
25.2
|
1.0
|
|
CA
|
S:HIS13
|
4.2
|
15.8
|
1.0
|
|
CB
|
S:HIS13
|
4.4
|
17.9
|
1.0
|
|
HB2
|
S:ASP46
|
4.4
|
24.7
|
1.0
|
|
C
|
S:HIS13
|
4.4
|
15.9
|
1.0
|
|
OH
|
S:TYR44
|
4.5
|
21.3
|
1.0
|
|
CE1
|
S:PHE95
|
4.5
|
17.9
|
1.0
|
|
OD1
|
S:ASP46
|
4.5
|
31.9
|
1.0
|
|
HD1
|
S:PHE95
|
4.6
|
17.2
|
1.0
|
|
CD2
|
S:HIS13
|
4.6
|
20.7
|
1.0
|
|
H
|
S:ASP46
|
4.6
|
20.6
|
1.0
|
|
HE3
|
S:LYS98
|
4.7
|
27.6
|
1.0
|
|
HD2
|
S:LYS98
|
4.7
|
25.8
|
1.0
|
|
HG23
|
S:ILE12
|
4.7
|
18.0
|
1.0
|
|
O
|
S:TRP11
|
4.7
|
16.4
|
1.0
|
|
CZ
|
S:TYR44
|
4.8
|
19.3
|
1.0
|
|
CB
|
S:ASP46
|
4.8
|
23.8
|
1.0
|
|
N
|
S:ILE12
|
4.8
|
14.8
|
1.0
|
|
O
|
S:HOH505
|
4.9
|
27.7
|
0.5
|
|
CG
|
S:HIS13
|
4.9
|
19.5
|
1.0
|
|
CG1
|
S:ILE12
|
4.9
|
17.0
|
1.0
|
|
HD11
|
S:ILE12
|
5.0
|
18.1
|
1.0
|
|
CD1
|
S:PHE95
|
5.0
|
17.0
|
1.0
|
|
Chlorine binding site 3 out
of 6 in 6fpi
Go back to
Chlorine Binding Sites List in 6fpi
Chlorine binding site 3 out
of 6 in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Cl407
b:18.9
occ:1.00
|
H
|
S:ASP237
|
2.4
|
15.5
|
1.0
|
|
H
|
S:ASP154
|
2.4
|
13.9
|
1.0
|
|
H
|
S:ASN236
|
2.5
|
13.4
|
1.0
|
|
HB2
|
S:PRO153
|
2.8
|
14.3
|
1.0
|
|
HD2
|
S:PRO153
|
3.0
|
13.9
|
1.0
|
|
O
|
S:HOH605
|
3.0
|
16.2
|
1.0
|
|
HB2
|
S:ASP154
|
3.2
|
17.0
|
1.0
|
|
N
|
S:ASN236
|
3.2
|
13.1
|
1.0
|
|
HG23
|
S:ILE152
|
3.3
|
13.1
|
1.0
|
|
N
|
S:ASP154
|
3.3
|
13.4
|
1.0
|
|
O
|
S:HOH518
|
3.3
|
27.5
|
1.0
|
|
N
|
S:ASP237
|
3.4
|
15.1
|
1.0
|
|
HG2
|
S:PRO153
|
3.4
|
14.4
|
1.0
|
|
HA
|
S:ASN236
|
3.4
|
14.0
|
1.0
|
|
HG21
|
S:ILE152
|
3.6
|
13.1
|
1.0
|
|
CB
|
S:PRO153
|
3.6
|
14.4
|
1.0
|
|
CG
|
S:ASP154
|
3.6
|
20.8
|
1.0
|
|
CD
|
S:PRO153
|
3.6
|
14.2
|
1.0
|
|
HA
|
S:TRP235
|
3.7
|
13.3
|
1.0
|
|
OD2
|
S:ASP154
|
3.7
|
20.3
|
1.0
|
|
CG
|
S:PRO153
|
3.7
|
14.6
|
1.0
|
|
CB
|
S:ASP154
|
3.7
|
16.5
|
1.0
|
|
CA
|
S:ASN236
|
3.8
|
14.1
|
1.0
|
|
CG2
|
S:ILE152
|
3.9
|
13.3
|
1.0
|
|
HA
|
S:ASP237
|
4.0
|
16.9
|
1.0
|
|
N
|
S:PRO153
|
4.0
|
12.8
|
1.0
|
|
C
|
S:TRP235
|
4.1
|
13.4
|
1.0
|
|
OD1
|
S:ASP154
|
4.1
|
22.5
|
1.0
|
|
C
|
S:ASN236
|
4.1
|
15.1
|
1.0
|
|
CA
|
S:ASP154
|
4.1
|
14.8
|
1.0
|
|
CA
|
S:PRO153
|
4.1
|
13.8
|
1.0
|
|
HG22
|
S:ILE152
|
4.2
|
13.2
|
1.0
|
|
C
|
S:PRO153
|
4.2
|
14.1
|
1.0
|
|
O
|
S:HOH527
|
4.2
|
22.2
|
1.0
|
|
CA
|
S:ASP237
|
4.3
|
16.9
|
1.0
|
|
H
|
S:GLY238
|
4.3
|
16.7
|
1.0
|
|
CA
|
S:TRP235
|
4.4
|
13.3
|
1.0
|
|
HB3
|
S:PRO153
|
4.4
|
14.3
|
1.0
|
|
O
|
S:ARG234
|
4.5
|
14.2
|
1.0
|
|
HD3
|
S:PRO153
|
4.5
|
13.9
|
1.0
|
|
HB3
|
S:ASP154
|
4.6
|
17.0
|
1.0
|
|
HA
|
S:ASP154
|
4.7
|
14.7
|
1.0
|
|
HG3
|
S:PRO153
|
4.7
|
14.4
|
1.0
|
|
HA
|
S:SER27
|
4.7
|
15.3
|
1.0
|
|
H
|
S:ALA28
|
4.7
|
15.4
|
1.0
|
|
C
|
S:ILE152
|
4.8
|
12.5
|
1.0
|
|
HB2
|
S:ASP237
|
4.9
|
18.9
|
1.0
|
|
H
|
S:VAL155
|
5.0
|
13.1
|
1.0
|
|
Chlorine binding site 4 out
of 6 in 6fpi
Go back to
Chlorine Binding Sites List in 6fpi
Chlorine binding site 4 out
of 6 in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Cl405
b:21.1
occ:1.00
|
H
|
T:GLY256
|
2.1
|
16.5
|
1.0
|
|
H
|
T:CYS120
|
2.2
|
14.8
|
1.0
|
|
O
|
T:HOH602
|
3.0
|
18.0
|
1.0
|
|
HB2
|
T:TRP118
|
3.0
|
19.1
|
1.0
|
|
N
|
T:GLY256
|
3.0
|
16.6
|
1.0
|
|
N
|
T:CYS120
|
3.1
|
14.7
|
1.0
|
|
O
|
T:HOH638
|
3.1
|
31.1
|
1.0
|
|
HA
|
T:CYS120
|
3.2
|
14.3
|
1.0
|
|
HA2
|
T:GLY256
|
3.3
|
16.4
|
1.0
|
|
HB3
|
T:TRP118
|
3.4
|
19.1
|
1.0
|
|
HG21
|
T:THR114
|
3.5
|
15.6
|
1.0
|
|
HA
|
T:ASN255
|
3.5
|
18.1
|
1.0
|
|
HG23
|
T:THR114
|
3.6
|
15.7
|
1.0
|
|
H
|
T:PHE257
|
3.6
|
16.1
|
1.0
|
|
CB
|
T:TRP118
|
3.6
|
19.2
|
1.0
|
|
CA
|
T:CYS120
|
3.7
|
14.2
|
1.0
|
|
CA
|
T:GLY256
|
3.7
|
16.1
|
1.0
|
|
HD1
|
T:TRP258
|
3.7
|
14.1
|
1.0
|
|
HG22
|
T:THR114
|
3.8
|
15.6
|
1.0
|
|
CG2
|
T:THR114
|
3.8
|
16.0
|
1.0
|
|
HD1
|
T:PHE257
|
4.0
|
15.9
|
1.0
|
|
C
|
T:ASN255
|
4.1
|
16.8
|
1.0
|
|
N
|
T:GLY119
|
4.1
|
16.2
|
1.0
|
|
HA3
|
T:GLY119
|
4.1
|
15.5
|
1.0
|
|
C
|
T:TRP118
|
4.1
|
18.1
|
1.0
|
|
C
|
T:GLY119
|
4.2
|
15.7
|
1.0
|
|
CA
|
T:ASN255
|
4.3
|
17.9
|
1.0
|
|
OD1
|
T:ASN255
|
4.3
|
23.3
|
1.0
|
|
N
|
T:PHE257
|
4.3
|
16.1
|
1.0
|
|
O
|
T:GLU254
|
4.3
|
17.2
|
1.0
|
|
CA
|
T:GLY119
|
4.3
|
15.1
|
1.0
|
|
O
|
T:TRP118
|
4.3
|
18.0
|
1.0
|
|
H
|
T:GLY119
|
4.3
|
16.4
|
1.0
|
|
O
|
T:CYS120
|
4.3
|
13.9
|
1.0
|
|
C
|
T:GLY256
|
4.4
|
16.7
|
1.0
|
|
C
|
T:CYS120
|
4.5
|
13.9
|
1.0
|
|
HA3
|
T:GLY256
|
4.5
|
16.4
|
1.0
|
|
O
|
T:HOH633
|
4.5
|
28.4
|
1.0
|
|
CD1
|
T:TRP258
|
4.5
|
14.3
|
1.0
|
|
H
|
T:TRP258
|
4.6
|
15.2
|
1.0
|
|
HB3
|
T:ALA123
|
4.6
|
15.5
|
1.0
|
|
CA
|
T:TRP118
|
4.6
|
17.6
|
1.0
|
|
HD1
|
T:TRP118
|
4.6
|
23.1
|
1.0
|
|
CG
|
T:TRP118
|
4.6
|
20.3
|
1.0
|
|
CD1
|
T:PHE257
|
4.7
|
16.2
|
1.0
|
|
HE1
|
T:PHE257
|
4.8
|
15.4
|
1.0
|
|
HB2
|
T:CYS120
|
4.8
|
14.5
|
1.0
|
|
HE1
|
T:TRP258
|
4.9
|
14.1
|
1.0
|
|
CB
|
T:CYS120
|
4.9
|
14.6
|
1.0
|
|
CD1
|
T:TRP118
|
5.0
|
23.3
|
1.0
|
|
O
|
T:THR114
|
5.0
|
14.4
|
1.0
|
|
Chlorine binding site 5 out
of 6 in 6fpi
Go back to
Chlorine Binding Sites List in 6fpi
Chlorine binding site 5 out
of 6 in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Cl406
b:28.0
occ:1.00
|
H
|
T:HIS13
|
2.3
|
16.5
|
1.0
|
|
HZ3
|
T:LYS98
|
2.4
|
29.3
|
1.0
|
|
HB
|
T:ILE12
|
2.9
|
16.8
|
1.0
|
|
HA
|
T:ILE12
|
2.9
|
16.3
|
1.0
|
|
O
|
T:HOH604
|
3.0
|
32.2
|
1.0
|
|
HE2
|
T:TYR44
|
3.2
|
19.6
|
1.0
|
|
N
|
T:HIS13
|
3.2
|
16.6
|
1.0
|
|
NZ
|
T:LYS98
|
3.2
|
30.1
|
1.0
|
|
HE2
|
T:LYS98
|
3.3
|
28.1
|
1.0
|
|
HD3
|
T:LYS98
|
3.3
|
26.8
|
1.0
|
|
HG21
|
T:ILE12
|
3.4
|
17.4
|
1.0
|
|
CB
|
T:ILE12
|
3.5
|
16.3
|
1.0
|
|
HZ2
|
T:LYS98
|
3.5
|
29.2
|
1.0
|
|
CA
|
T:ILE12
|
3.5
|
16.3
|
1.0
|
|
OD2
|
T:ASP46
|
3.6
|
31.6
|
1.0
|
|
HE1
|
T:PHE95
|
3.6
|
20.4
|
1.0
|
|
CE
|
T:LYS98
|
3.7
|
27.6
|
1.0
|
|
HD2
|
T:HIS13
|
3.8
|
22.3
|
1.0
|
|
HB2
|
T:HIS13
|
3.9
|
18.5
|
1.0
|
|
CG2
|
T:ILE12
|
3.9
|
17.9
|
1.0
|
|
O
|
T:HIS13
|
3.9
|
17.9
|
1.0
|
|
C
|
T:ILE12
|
3.9
|
16.4
|
1.0
|
|
HZ1
|
T:LYS98
|
4.0
|
29.3
|
1.0
|
|
CD
|
T:LYS98
|
4.0
|
27.5
|
1.0
|
|
HG22
|
T:ILE12
|
4.1
|
17.4
|
1.0
|
|
CE2
|
T:TYR44
|
4.1
|
20.0
|
1.0
|
|
CG
|
T:ASP46
|
4.1
|
30.4
|
1.0
|
|
CA
|
T:HIS13
|
4.2
|
16.3
|
1.0
|
|
HE1
|
M:HIS30
|
4.3
|
25.9
|
1.0
|
|
HG
|
T:SER90
|
4.4
|
39.8
|
0.0
|
|
C
|
T:HIS13
|
4.4
|
17.3
|
1.0
|
|
HB2
|
T:ASP46
|
4.4
|
26.3
|
1.0
|
|
CE1
|
T:PHE95
|
4.5
|
21.3
|
1.0
|
|
CB
|
T:HIS13
|
4.5
|
18.5
|
1.0
|
|
OH
|
T:TYR44
|
4.5
|
21.8
|
1.0
|
|
HD2
|
T:LYS98
|
4.6
|
26.8
|
1.0
|
|
HD1
|
T:PHE95
|
4.6
|
19.7
|
1.0
|
|
HE3
|
T:LYS98
|
4.6
|
28.1
|
1.0
|
|
CD2
|
T:HIS13
|
4.6
|
22.7
|
1.0
|
|
OD1
|
T:ASP46
|
4.6
|
32.4
|
1.0
|
|
HG23
|
T:ILE12
|
4.7
|
17.4
|
1.0
|
|
H
|
T:ASP46
|
4.7
|
21.4
|
1.0
|
|
O
|
T:TRP11
|
4.8
|
18.6
|
1.0
|
|
CG1
|
T:ILE12
|
4.9
|
17.2
|
1.0
|
|
N
|
T:ILE12
|
4.9
|
16.0
|
1.0
|
|
CZ
|
T:TYR44
|
4.9
|
19.2
|
1.0
|
|
CB
|
T:ASP46
|
4.9
|
26.4
|
1.0
|
|
HG2
|
T:LYS98
|
4.9
|
24.8
|
1.0
|
|
HH
|
T:TYR44
|
4.9
|
21.9
|
0.0
|
|
CG
|
T:HIS13
|
4.9
|
20.8
|
1.0
|
|
HD11
|
T:ILE12
|
4.9
|
17.3
|
1.0
|
|
HD2
|
T:TYR44
|
5.0
|
19.0
|
1.0
|
|
CD1
|
T:PHE95
|
5.0
|
19.7
|
1.0
|
|
Chlorine binding site 6 out
of 6 in 6fpi
Go back to
Chlorine Binding Sites List in 6fpi
Chlorine binding site 6 out
of 6 in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q
 Mono view
 Stereo pair view
|
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Cl407
b:19.9
occ:1.00
|
H
|
T:ASP237
|
2.4
|
16.8
|
1.0
|
|
H
|
T:ASP154
|
2.4
|
15.0
|
1.0
|
|
H
|
T:ASN236
|
2.5
|
14.4
|
1.0
|
|
HB2
|
T:PRO153
|
2.8
|
13.8
|
1.0
|
|
HD2
|
T:PRO153
|
3.0
|
14.2
|
1.0
|
|
O
|
T:HOH575
|
3.1
|
18.0
|
1.0
|
|
HB2
|
T:ASP154
|
3.2
|
17.5
|
1.0
|
|
HG23
|
T:ILE152
|
3.2
|
14.4
|
1.0
|
|
N
|
T:ASN236
|
3.2
|
14.2
|
1.0
|
|
N
|
T:ASP154
|
3.3
|
14.8
|
1.0
|
|
N
|
T:ASP237
|
3.4
|
17.1
|
1.0
|
|
O
|
T:HOH534
|
3.4
|
31.8
|
1.0
|
|
HA
|
T:ASN236
|
3.4
|
14.8
|
1.0
|
|
HG2
|
T:PRO153
|
3.4
|
14.1
|
1.0
|
|
CG
|
T:ASP154
|
3.6
|
20.0
|
1.0
|
|
CB
|
T:PRO153
|
3.6
|
13.8
|
1.0
|
|
HG21
|
T:ILE152
|
3.6
|
14.4
|
1.0
|
|
CD
|
T:PRO153
|
3.6
|
14.6
|
1.0
|
|
OD2
|
T:ASP154
|
3.6
|
20.4
|
1.0
|
|
CB
|
T:ASP154
|
3.7
|
17.3
|
1.0
|
|
HA
|
T:TRP235
|
3.7
|
13.6
|
1.0
|
|
CG
|
T:PRO153
|
3.8
|
14.0
|
1.0
|
|
CA
|
T:ASN236
|
3.8
|
14.6
|
1.0
|
|
CG2
|
T:ILE152
|
3.8
|
14.8
|
1.0
|
|
N
|
T:PRO153
|
4.0
|
13.6
|
1.0
|
|
HA
|
T:ASP237
|
4.0
|
17.0
|
1.0
|
|
OD1
|
T:ASP154
|
4.1
|
22.3
|
1.0
|
|
C
|
T:ASN236
|
4.1
|
16.3
|
1.0
|
|
CA
|
T:PRO153
|
4.1
|
13.7
|
1.0
|
|
HG22
|
T:ILE152
|
4.1
|
14.5
|
1.0
|
|
CA
|
T:ASP154
|
4.1
|
15.7
|
1.0
|
|
C
|
T:TRP235
|
4.1
|
14.7
|
1.0
|
|
O
|
T:HOH509
|
4.2
|
21.7
|
1.0
|
|
C
|
T:PRO153
|
4.2
|
14.7
|
1.0
|
|
CA
|
T:ASP237
|
4.3
|
16.7
|
1.0
|
|
H
|
T:GLY238
|
4.3
|
15.8
|
1.0
|
|
HB3
|
T:PRO153
|
4.3
|
13.8
|
1.0
|
|
CA
|
T:TRP235
|
4.4
|
13.6
|
1.0
|
|
HD3
|
T:PRO153
|
4.5
|
14.2
|
1.0
|
|
O
|
T:ARG234
|
4.5
|
15.7
|
1.0
|
|
HB3
|
T:ASP154
|
4.6
|
17.5
|
1.0
|
|
HA
|
T:ASP154
|
4.7
|
15.6
|
1.0
|
|
H
|
T:ALA28
|
4.7
|
15.8
|
1.0
|
|
HA
|
T:SER27
|
4.7
|
16.2
|
1.0
|
|
HG3
|
T:PRO153
|
4.7
|
14.1
|
1.0
|
|
C
|
T:ILE152
|
4.8
|
12.9
|
1.0
|
|
HB2
|
T:ASP237
|
4.9
|
18.9
|
1.0
|
|
H
|
T:VAL155
|
5.0
|
14.8
|
1.0
|
|
Reference:
R.M.Evans,
P.A.Ash,
S.E.Beaton,
E.J.Brooke,
K.A.Vincent,
S.B.Carr,
F.A.Armstrong.
Mechanistic Exploitation of A Self-Repairing, Blocked Proton Transfer Pathway in An O2-Tolerant [Nife]-Hydrogenase. J. Am. Chem. Soc. V. 140 10208 2018.
ISSN: ESSN 1520-5126
PubMed: 30070475
DOI: 10.1021/JACS.8B04798
Page generated: Sat Dec 12 12:59:35 2020
|
