Chlorine in PDB 7aq5: Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N
Enzymatic activity of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N
All present enzymatic activity of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N:
1.7.2.4;
Protein crystallography data
The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N, PDB code: 7aq5
was solved by
L.Zhang,
E.Bill,
P.M.H.Kroneck,
O.Einsle,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
62.65 /
1.70
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
69.289,
76.452,
109.485,
90,
93.38,
90
|
R / Rfree (%)
|
16.1 /
19.9
|
Other elements in 7aq5:
The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N
(pdb code 7aq5). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the
Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N, PDB code: 7aq5:
Jump to Chlorine binding site number:
1;
2;
3;
Chlorine binding site 1 out
of 3 in 7aq5
Go back to
Chlorine Binding Sites List in 7aq5
Chlorine binding site 1 out
of 3 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl706
b:24.1
occ:0.46
|
O
|
A:HOH881
|
3.1
|
58.6
|
1.0
|
NH1
|
A:ARG181
|
3.1
|
34.5
|
1.0
|
ND1
|
A:HIS382
|
3.2
|
39.2
|
1.0
|
N
|
A:CYS328
|
3.3
|
26.4
|
1.0
|
ND2
|
A:ASN329
|
3.4
|
31.6
|
1.0
|
CE1
|
A:HIS382
|
3.4
|
38.3
|
1.0
|
CA
|
A:GLY327
|
3.6
|
28.1
|
1.0
|
O
|
A:CYS328
|
3.7
|
35.2
|
1.0
|
CB
|
A:ASN241
|
3.7
|
23.3
|
1.0
|
NH2
|
A:ARG181
|
3.7
|
55.2
|
1.0
|
CG
|
A:ASN241
|
3.7
|
33.8
|
1.0
|
OD1
|
A:ASN329
|
3.8
|
32.8
|
1.0
|
CZ
|
A:ARG181
|
3.8
|
48.1
|
1.0
|
OD1
|
A:ASN241
|
3.9
|
42.7
|
1.0
|
CG
|
A:ASN329
|
3.9
|
34.0
|
1.0
|
C
|
A:GLY327
|
4.0
|
24.1
|
1.0
|
C
|
A:CYS328
|
4.1
|
31.5
|
1.0
|
CE1
|
A:HIS433
|
4.2
|
42.1
|
1.0
|
CA
|
A:CYS328
|
4.3
|
28.8
|
1.0
|
ND2
|
A:ASN241
|
4.3
|
41.4
|
1.0
|
O
|
A:HOH1105
|
4.4
|
29.9
|
1.0
|
CG
|
A:HIS382
|
4.6
|
39.4
|
1.0
|
NE2
|
A:HIS382
|
4.7
|
37.9
|
1.0
|
O
|
A:HOH950
|
4.8
|
67.6
|
1.0
|
ND1
|
A:HIS433
|
4.9
|
41.1
|
1.0
|
N
|
A:ASN329
|
4.9
|
30.8
|
1.0
|
N
|
A:GLY327
|
4.9
|
29.4
|
1.0
|
CB
|
A:CYS328
|
4.9
|
30.6
|
1.0
|
|
Chlorine binding site 2 out
of 3 in 7aq5
Go back to
Chlorine Binding Sites List in 7aq5
Chlorine binding site 2 out
of 3 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl707
b:56.9
occ:0.82
|
NZ
|
A:LYS403
|
3.1
|
40.7
|
1.0
|
NH2
|
A:ARG388
|
3.2
|
44.3
|
1.0
|
OD1
|
A:ASP479
|
3.3
|
79.7
|
1.0
|
ND2
|
A:ASN390
|
3.4
|
41.1
|
1.0
|
NE
|
A:ARG388
|
3.5
|
37.2
|
1.0
|
O
|
A:HOH1078
|
3.7
|
49.9
|
1.0
|
CZ
|
A:ARG388
|
3.8
|
44.4
|
1.0
|
CE
|
A:LYS403
|
3.8
|
44.8
|
1.0
|
O
|
A:GLY478
|
4.1
|
40.9
|
1.0
|
CA
|
A:ASP479
|
4.2
|
54.8
|
1.0
|
CG
|
A:ASP479
|
4.2
|
75.9
|
1.0
|
OD2
|
A:ASP386
|
4.5
|
35.1
|
1.0
|
CG
|
A:ASN390
|
4.6
|
42.2
|
1.0
|
CB
|
A:ASP479
|
4.7
|
64.7
|
1.0
|
CD
|
A:ARG388
|
4.7
|
38.1
|
1.0
|
C
|
A:GLY478
|
4.7
|
44.7
|
1.0
|
O
|
A:HOH973
|
4.8
|
39.7
|
1.0
|
N
|
A:ASP479
|
4.8
|
49.8
|
1.0
|
O
|
A:ASP479
|
4.9
|
60.7
|
1.0
|
C
|
A:ASP479
|
5.0
|
52.8
|
1.0
|
|
Chlorine binding site 3 out
of 3 in 7aq5
Go back to
Chlorine Binding Sites List in 7aq5
Chlorine binding site 3 out
of 3 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583N within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl707
b:35.0
occ:0.63
|
O
|
B:HOH998
|
2.9
|
50.8
|
1.0
|
ND1
|
B:HIS382
|
3.2
|
50.6
|
1.0
|
NH1
|
B:ARG181
|
3.3
|
50.6
|
1.0
|
CE1
|
B:HIS382
|
3.3
|
51.0
|
1.0
|
ND2
|
B:ASN329
|
3.3
|
38.1
|
1.0
|
N
|
B:CYS328
|
3.4
|
35.8
|
1.0
|
NH2
|
B:ARG181
|
3.5
|
66.5
|
1.0
|
CB
|
B:ASN241
|
3.6
|
32.4
|
1.0
|
CG
|
B:ASN241
|
3.7
|
43.2
|
1.0
|
CA
|
B:GLY327
|
3.7
|
36.4
|
1.0
|
O
|
B:CYS328
|
3.7
|
38.2
|
1.0
|
OD1
|
B:ASN241
|
3.8
|
48.6
|
1.0
|
CZ
|
B:ARG181
|
3.8
|
62.2
|
1.0
|
CG
|
B:ASN329
|
4.0
|
39.4
|
1.0
|
OD1
|
B:ASN329
|
4.0
|
35.2
|
1.0
|
C
|
B:GLY327
|
4.1
|
37.2
|
1.0
|
CE1
|
B:HIS433
|
4.1
|
46.2
|
1.0
|
C
|
B:CYS328
|
4.2
|
38.2
|
1.0
|
ND2
|
B:ASN241
|
4.2
|
42.4
|
1.0
|
CA
|
B:CYS328
|
4.4
|
38.5
|
1.0
|
O
|
B:HOH1009
|
4.4
|
58.4
|
1.0
|
O
|
B:HOH1026
|
4.4
|
37.1
|
1.0
|
CG
|
B:HIS382
|
4.6
|
49.1
|
1.0
|
NE2
|
B:HIS382
|
4.6
|
50.1
|
1.0
|
ND1
|
B:HIS433
|
4.8
|
44.5
|
1.0
|
N
|
B:GLY327
|
4.9
|
37.4
|
1.0
|
CB
|
B:CYS328
|
4.9
|
37.3
|
1.0
|
O
|
B:HOH918
|
5.0
|
52.7
|
1.0
|
|
Reference:
L.Zhang,
E.Bill,
P.M.H.Kroneck,
O.Einsle.
Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126
PubMed: 33377777
DOI: 10.1021/JACS.0C10057
Page generated: Sun Jan 24 11:06:20 2021
|