Chlorine in PDB 6gal: Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q Collected at pH 10
Enzymatic activity of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q Collected at pH 10
All present enzymatic activity of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q Collected at pH 10:
1.12.99.6;
Protein crystallography data
The structure of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q Collected at pH 10, PDB code: 6gal
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)
|
92.12 /
1.25
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
94.906,
95.224,
183.910,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
12 /
14.7
|
Other elements in 6gal:
The structure of Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q Collected at pH 10 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 Collected at pH 10
(pdb code 6gal). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the
Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q Collected at pH 10, PDB code: 6gal:
Jump to Chlorine binding site number:
1;
2;
Chlorine binding site 1 out
of 2 in 6gal
Go back to
Chlorine Binding Sites List in 6gal
Chlorine binding site 1 out
of 2 in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q Collected at pH 10
 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 Collected at pH 10 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Cl404
b:13.5
occ:1.00
|
H
|
S:GLY256
|
2.1
|
8.7
|
1.0
|
H
|
S:CYS120
|
2.3
|
7.1
|
1.0
|
O
|
S:HOH621
|
3.0
|
11.3
|
1.0
|
O
|
S:HOH643
|
3.1
|
22.2
|
1.0
|
N
|
S:GLY256
|
3.1
|
8.5
|
1.0
|
HB2
|
S:TRP118
|
3.2
|
10.8
|
1.0
|
HB3
|
S:TRP118
|
3.2
|
10.7
|
1.0
|
N
|
S:CYS120
|
3.2
|
7.4
|
1.0
|
HA
|
S:CYS120
|
3.2
|
7.3
|
1.0
|
HA2
|
S:GLY256
|
3.4
|
10.3
|
1.0
|
HG21
|
S:THR114
|
3.4
|
7.8
|
1.0
|
HA
|
S:ASN255
|
3.5
|
8.7
|
1.0
|
HG23
|
S:THR114
|
3.5
|
7.7
|
1.0
|
CB
|
S:TRP118
|
3.6
|
10.5
|
1.0
|
HG22
|
S:THR114
|
3.7
|
7.7
|
1.0
|
CA
|
S:CYS120
|
3.7
|
7.1
|
1.0
|
CG2
|
S:THR114
|
3.7
|
7.8
|
1.0
|
CA
|
S:GLY256
|
3.7
|
10.2
|
1.0
|
H
|
S:PHE257
|
3.7
|
9.0
|
1.0
|
HD1
|
S:TRP258
|
3.8
|
7.2
|
1.0
|
C
|
S:TRP118
|
4.0
|
8.5
|
1.0
|
N
|
S:GLY119
|
4.1
|
7.3
|
1.0
|
HA3
|
S:GLY119
|
4.1
|
7.8
|
1.0
|
C
|
S:ASN255
|
4.1
|
8.8
|
1.0
|
OD1
|
S:ASN255
|
4.1
|
12.4
|
1.0
|
C
|
S:GLY119
|
4.2
|
6.9
|
1.0
|
HD1
|
S:PHE257
|
4.2
|
8.6
|
1.0
|
O
|
S:TRP118
|
4.2
|
11.1
|
1.0
|
CA
|
S:ASN255
|
4.2
|
8.7
|
1.0
|
CA
|
S:GLY119
|
4.3
|
7.9
|
1.0
|
H
|
S:GLY119
|
4.4
|
7.2
|
1.0
|
O
|
S:CYS120
|
4.4
|
6.5
|
1.0
|
N
|
S:PHE257
|
4.4
|
8.7
|
1.0
|
O
|
S:GLU254
|
4.5
|
9.1
|
1.0
|
CA
|
S:TRP118
|
4.5
|
8.9
|
1.0
|
O
|
S:HOH650
|
4.5
|
19.9
|
1.0
|
C
|
S:GLY256
|
4.5
|
9.1
|
1.0
|
C
|
S:CYS120
|
4.5
|
7.0
|
1.0
|
HA3
|
S:GLY256
|
4.5
|
9.8
|
1.0
|
HB3
|
S:ALA123
|
4.6
|
8.1
|
1.0
|
CD1
|
S:TRP258
|
4.6
|
7.5
|
1.0
|
H
|
S:TRP258
|
4.7
|
7.3
|
1.0
|
CG
|
S:TRP118
|
4.7
|
14.2
|
1.0
|
O
|
S:HOH632
|
4.8
|
27.9
|
1.0
|
HB2
|
S:CYS120
|
4.9
|
7.3
|
1.0
|
HE1
|
S:PHE257
|
4.9
|
8.6
|
1.0
|
CD1
|
S:PHE257
|
4.9
|
8.7
|
1.0
|
O
|
S:THR114
|
4.9
|
7.7
|
1.0
|
HE1
|
S:TRP258
|
4.9
|
6.7
|
1.0
|
HD1
|
S:TRP118
|
4.9
|
14.8
|
1.0
|
CB
|
S:CYS120
|
4.9
|
6.9
|
1.0
|
|
Chlorine binding site 2 out
of 2 in 6gal
Go back to
Chlorine Binding Sites List in 6gal
Chlorine binding site 2 out
of 2 in the Structure of Fully Reduced Hydrogenase (Hyd-1) Variant E28Q Collected at pH 10
 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 Collected at pH 10 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
T:Cl404
b:13.5
occ:1.00
|
H
|
T:GLY256
|
2.1
|
8.8
|
1.0
|
H
|
T:CYS120
|
2.3
|
6.9
|
1.0
|
O
|
T:HOH631
|
3.0
|
11.7
|
1.0
|
N
|
T:GLY256
|
3.1
|
8.6
|
1.0
|
O
|
T:HOH678
|
3.1
|
20.9
|
1.0
|
HB2
|
T:TRP118
|
3.2
|
10.5
|
1.0
|
HA
|
T:CYS120
|
3.2
|
6.4
|
1.0
|
N
|
T:CYS120
|
3.2
|
6.7
|
1.0
|
HB3
|
T:TRP118
|
3.2
|
10.2
|
1.0
|
HG21
|
T:THR114
|
3.4
|
7.7
|
1.0
|
HA2
|
T:GLY256
|
3.4
|
9.5
|
1.0
|
HA
|
T:ASN255
|
3.5
|
9.1
|
1.0
|
HG23
|
T:THR114
|
3.6
|
7.8
|
1.0
|
CB
|
T:TRP118
|
3.6
|
10.1
|
1.0
|
CA
|
T:CYS120
|
3.7
|
6.6
|
1.0
|
HG22
|
T:THR114
|
3.8
|
7.7
|
1.0
|
CA
|
T:GLY256
|
3.8
|
9.1
|
1.0
|
CG2
|
T:THR114
|
3.8
|
7.9
|
1.0
|
HD1
|
T:TRP258
|
3.8
|
7.1
|
1.0
|
H
|
T:PHE257
|
3.8
|
7.9
|
1.0
|
HA3
|
T:GLY119
|
4.0
|
7.3
|
1.0
|
N
|
T:GLY119
|
4.1
|
7.5
|
1.0
|
C
|
T:TRP118
|
4.1
|
7.9
|
1.0
|
C
|
T:ASN255
|
4.1
|
9.2
|
1.0
|
HD1
|
T:PHE257
|
4.2
|
8.8
|
1.0
|
OD1
|
T:ASN255
|
4.2
|
12.7
|
1.0
|
C
|
T:GLY119
|
4.2
|
6.7
|
1.0
|
CA
|
T:ASN255
|
4.2
|
9.0
|
1.0
|
O
|
T:TRP118
|
4.3
|
10.4
|
1.0
|
CA
|
T:GLY119
|
4.3
|
7.0
|
1.0
|
H
|
T:GLY119
|
4.3
|
7.8
|
1.0
|
O
|
T:CYS120
|
4.4
|
6.7
|
1.0
|
N
|
T:PHE257
|
4.4
|
8.4
|
1.0
|
O
|
T:GLU254
|
4.5
|
9.0
|
1.0
|
HB3
|
T:ALA123
|
4.5
|
7.8
|
1.0
|
C
|
T:CYS120
|
4.5
|
6.2
|
1.0
|
C
|
T:GLY256
|
4.5
|
8.7
|
1.0
|
CA
|
T:TRP118
|
4.6
|
8.3
|
1.0
|
HA3
|
T:GLY256
|
4.6
|
9.1
|
1.0
|
O
|
T:HOH684
|
4.6
|
19.4
|
1.0
|
CD1
|
T:TRP258
|
4.6
|
7.2
|
1.0
|
H
|
T:TRP258
|
4.6
|
7.3
|
1.0
|
CG
|
T:TRP118
|
4.7
|
12.9
|
1.0
|
O
|
T:HOH672
|
4.8
|
28.4
|
1.0
|
HB2
|
T:CYS120
|
4.8
|
6.2
|
1.0
|
HE1
|
T:PHE257
|
4.8
|
8.8
|
1.0
|
CD1
|
T:PHE257
|
4.8
|
9.2
|
1.0
|
CB
|
T:CYS120
|
4.9
|
6.4
|
1.0
|
HD1
|
T:TRP118
|
4.9
|
14.9
|
1.0
|
HE1
|
T:TRP258
|
4.9
|
6.7
|
1.0
|
O
|
T:THR114
|
4.9
|
6.6
|
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 Jul 27 23:54:31 2024
|