Chlorine in PDB 8iq1: Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
Enzymatic activity of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
All present enzymatic activity of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State:
1.15.1.1;
Protein crystallography data
The structure of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State, PDB code: 8iq1
was solved by
J.H.Zhou,
W.X.Huang,
R.X.Cheng,
P.J.Zhang,
Y.C.Zhu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.28 /
1.80
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.126,
69.961,
91.345,
98.69,
94.83,
103.31
|
R / Rfree (%)
|
18.4 /
21.7
|
Other elements in 8iq1:
The structure of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State also contains other interesting chemical elements:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
(pdb code 8iq1). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the
Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State, PDB code: 8iq1:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
Chlorine binding site 1 out
of 7 in 8iq1
Go back to
Chlorine Binding Sites List in 8iq1
Chlorine binding site 1 out
of 7 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
 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 Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl209
b:49.7
occ:1.00
|
CB
|
B:ASN63
|
3.1
|
20.2
|
1.0
|
O
|
B:HIS61
|
3.2
|
15.4
|
1.0
|
ND2
|
B:ASN63
|
3.3
|
17.2
|
1.0
|
CG
|
B:ASN63
|
3.7
|
19.5
|
1.0
|
CB
|
B:PRO60
|
3.9
|
21.7
|
1.0
|
O
|
B:HOH313
|
4.0
|
26.2
|
1.0
|
CG
|
B:PRO60
|
4.1
|
19.9
|
1.0
|
O
|
B:HOH378
|
4.1
|
33.1
|
1.0
|
C
|
B:HIS61
|
4.4
|
15.2
|
1.0
|
NE2
|
B:HIS78
|
4.5
|
21.2
|
1.0
|
CA
|
B:ASN63
|
4.5
|
18.2
|
1.0
|
N
|
B:HIS61
|
4.5
|
16.4
|
1.0
|
N
|
B:ASN63
|
4.6
|
12.1
|
1.0
|
CD2
|
B:HIS78
|
4.7
|
19.5
|
1.0
|
CE1
|
B:HIS78
|
4.8
|
20.1
|
1.0
|
CA
|
B:HIS61
|
4.9
|
17.6
|
1.0
|
O
|
B:HOH387
|
4.9
|
29.7
|
1.0
|
C
|
B:PRO60
|
4.9
|
16.6
|
1.0
|
O
|
B:HOH360
|
4.9
|
20.1
|
1.0
|
O
|
B:ASN63
|
4.9
|
18.8
|
1.0
|
OD1
|
B:ASN63
|
5.0
|
19.7
|
1.0
|
|
Chlorine binding site 2 out
of 7 in 8iq1
Go back to
Chlorine Binding Sites List in 8iq1
Chlorine binding site 2 out
of 7 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
 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 Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl206
b:55.9
occ:1.00
|
O
|
C:ASP40
|
2.9
|
25.3
|
1.0
|
OG1
|
C:THR37
|
3.4
|
42.4
|
1.0
|
O
|
C:GLU119
|
3.5
|
26.8
|
1.0
|
CE1
|
C:HIS41
|
3.5
|
30.0
|
1.0
|
O
|
C:HOH321
|
3.7
|
48.7
|
1.0
|
NE2
|
C:HIS41
|
3.7
|
30.4
|
1.0
|
CD
|
C:PRO121
|
3.9
|
29.8
|
1.0
|
ND1
|
C:HIS41
|
4.0
|
29.5
|
1.0
|
O
|
C:HOH392
|
4.0
|
36.8
|
1.0
|
C
|
C:ASP40
|
4.1
|
27.9
|
1.0
|
O
|
C:GLU38
|
4.2
|
36.0
|
1.0
|
CD2
|
C:HIS41
|
4.2
|
30.0
|
1.0
|
CG
|
C:PRO121
|
4.3
|
30.3
|
1.0
|
N
|
C:ASP40
|
4.3
|
30.9
|
1.0
|
CA
|
C:LYS120
|
4.3
|
24.7
|
1.0
|
CG
|
C:HIS41
|
4.4
|
29.2
|
1.0
|
N
|
C:PRO121
|
4.4
|
27.7
|
1.0
|
C
|
C:GLU119
|
4.5
|
24.5
|
1.0
|
C
|
C:LYS120
|
4.6
|
26.8
|
1.0
|
C
|
C:GLY39
|
4.6
|
32.8
|
1.0
|
CA
|
C:ASP40
|
4.8
|
31.2
|
1.0
|
CB
|
C:THR37
|
4.8
|
41.7
|
1.0
|
CA
|
C:GLY39
|
4.8
|
32.6
|
1.0
|
N
|
C:LYS120
|
4.9
|
24.5
|
1.0
|
|
Chlorine binding site 3 out
of 7 in 8iq1
Go back to
Chlorine Binding Sites List in 8iq1
Chlorine binding site 3 out
of 7 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
 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 Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl205
b:34.5
occ:1.00
|
O
|
D:HOH428
|
2.8
|
23.7
|
1.0
|
O
|
D:HOH375
|
2.9
|
29.7
|
1.0
|
NH2
|
D:ARG141
|
3.2
|
17.0
|
1.0
|
O
|
D:HOH318
|
3.3
|
27.0
|
1.0
|
O
|
D:HOH339
|
3.3
|
23.5
|
1.0
|
NE2
|
D:HIS61
|
3.6
|
17.3
|
1.0
|
CE1
|
D:HIS46
|
3.6
|
13.7
|
1.0
|
CE1
|
D:HIS118
|
3.7
|
13.8
|
1.0
|
CG2
|
D:THR135
|
3.7
|
25.0
|
1.0
|
NE
|
D:ARG141
|
3.9
|
17.2
|
1.0
|
CD2
|
D:HIS61
|
3.9
|
15.9
|
1.0
|
CZ
|
D:ARG141
|
3.9
|
16.1
|
1.0
|
CB
|
D:THR135
|
4.1
|
23.7
|
1.0
|
CU
|
D:CU201
|
4.3
|
17.1
|
1.0
|
NE2
|
D:HIS118
|
4.3
|
12.9
|
1.0
|
NE2
|
D:HIS46
|
4.4
|
13.3
|
1.0
|
ND1
|
D:HIS46
|
4.5
|
13.8
|
1.0
|
CE1
|
D:HIS61
|
4.7
|
15.2
|
1.0
|
ND1
|
D:HIS118
|
4.7
|
15.9
|
1.0
|
|
Chlorine binding site 4 out
of 7 in 8iq1
Go back to
Chlorine Binding Sites List in 8iq1
Chlorine binding site 4 out
of 7 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
 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 Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl204
b:45.6
occ:1.00
|
OE2
|
E:GLU76
|
2.6
|
29.2
|
1.0
|
O
|
E:HOH430
|
2.7
|
37.7
|
1.0
|
NZ
|
E:LYS68
|
2.9
|
41.6
|
1.0
|
O
|
E:HOH384
|
2.9
|
28.9
|
1.0
|
CD
|
E:GLU76
|
3.6
|
30.4
|
1.0
|
OE1
|
E:GLU76
|
4.0
|
32.1
|
1.0
|
N
|
E:LYS68
|
4.1
|
17.8
|
1.0
|
CA
|
E:LYS67
|
4.2
|
18.1
|
1.0
|
CE
|
E:LYS68
|
4.3
|
40.1
|
1.0
|
O
|
E:SER66
|
4.3
|
18.4
|
1.0
|
CG
|
E:LYS68
|
4.3
|
29.6
|
1.0
|
C
|
E:LYS67
|
4.5
|
19.3
|
1.0
|
CD
|
E:LYS67
|
4.6
|
29.6
|
1.0
|
CD
|
E:LYS68
|
4.6
|
35.8
|
1.0
|
CB
|
E:LYS68
|
4.7
|
22.6
|
1.0
|
O
|
E:HOH469
|
4.8
|
45.9
|
1.0
|
CG
|
E:GLU76
|
4.9
|
30.6
|
1.0
|
CB
|
E:LYS67
|
4.9
|
21.0
|
1.0
|
|
Chlorine binding site 5 out
of 7 in 8iq1
Go back to
Chlorine Binding Sites List in 8iq1
Chlorine binding site 5 out
of 7 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
 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 Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl205
b:45.7
occ:1.00
|
O
|
F:HOH401
|
3.1
|
26.7
|
1.0
|
O2
|
F:EDO204
|
3.5
|
32.0
|
1.0
|
O
|
F:HOH305
|
3.7
|
31.3
|
1.0
|
N
|
E:ALA1
|
3.8
|
29.0
|
1.0
|
CB
|
E:ALA1
|
3.8
|
22.5
|
1.0
|
NH2
|
F:ARG113
|
3.9
|
15.2
|
1.0
|
O
|
E:HOH325
|
3.9
|
30.4
|
1.0
|
CD1
|
E:ILE149
|
4.1
|
11.6
|
1.0
|
CA
|
E:ALA1
|
4.1
|
23.0
|
1.0
|
O
|
E:HOH353
|
4.2
|
37.6
|
1.0
|
O
|
F:HOH380
|
4.4
|
32.4
|
1.0
|
O
|
F:HOH320
|
4.4
|
22.4
|
1.0
|
CG1
|
E:ILE149
|
4.8
|
11.4
|
1.0
|
C2
|
F:EDO204
|
4.9
|
29.5
|
1.0
|
CZ
|
F:ARG113
|
4.9
|
15.2
|
1.0
|
O
|
F:HOH324
|
4.9
|
20.2
|
1.0
|
|
Chlorine binding site 6 out
of 7 in 8iq1
Go back to
Chlorine Binding Sites List in 8iq1
Chlorine binding site 6 out
of 7 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl207
b:46.4
occ:1.00
|
N
|
H:GLY106
|
3.4
|
19.6
|
1.0
|
O
|
H:HOH334
|
3.7
|
24.9
|
1.0
|
O
|
H:HOH354
|
3.7
|
26.6
|
1.0
|
CB
|
H:SER105
|
4.0
|
19.2
|
1.0
|
O
|
H:HOH385
|
4.0
|
29.5
|
1.0
|
CA
|
H:SER105
|
4.1
|
17.7
|
1.0
|
C
|
H:SER105
|
4.3
|
18.5
|
1.0
|
O
|
G:HOH387
|
4.3
|
38.1
|
1.0
|
CA
|
H:GLY106
|
4.3
|
20.3
|
1.0
|
O
|
G:HOH416
|
5.0
|
28.3
|
1.0
|
|
Chlorine binding site 7 out
of 7 in 8iq1
Go back to
Chlorine Binding Sites List in 8iq1
Chlorine binding site 7 out
of 7 in the Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of Hydrogen Sulfide-Bound Superoxide Dismutase in Reduced State within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Cl208
b:42.0
occ:1.00
|
NH1
|
H:ARG113
|
3.0
|
15.7
|
1.0
|
NE2
|
H:GLN47
|
3.2
|
25.1
|
1.0
|
NH2
|
H:ARG113
|
3.7
|
16.1
|
1.0
|
O
|
H:HOH409
|
3.8
|
32.6
|
1.0
|
CZ
|
H:ARG113
|
3.8
|
17.4
|
1.0
|
O
|
G:HOH420
|
3.8
|
35.1
|
1.0
|
CG
|
H:GLN47
|
3.8
|
24.7
|
1.0
|
CD
|
H:GLN47
|
4.0
|
26.8
|
1.0
|
CE1
|
H:PHE48
|
4.2
|
21.8
|
1.0
|
CG2
|
G:ILE149
|
4.3
|
18.8
|
1.0
|
O
|
H:HOH408
|
4.4
|
30.7
|
1.0
|
O
|
H:GLN47
|
4.8
|
18.4
|
1.0
|
CD1
|
H:PHE48
|
4.8
|
20.7
|
1.0
|
|
Reference:
D.D.Wu,
S.Jin,
R.X.Cheng,
W.J.Cai,
W.L.Xue,
Q.Q.Zhang,
L.J.Yang,
Q.Zhu,
M.Y.Li,
G.Lin,
Y.Z.Wang,
X.P.Mu,
Y.Wang,
I.Y.Zhang,
Q.Zhang,
Y.Chen,
S.Y.Cai,
B.Tan,
Y.Li,
Y.Q.Chen,
P.J.Zhang,
C.Sun,
Y.Yin,
M.J.Wang,
Y.Z.Zhu,
B.B.Tao,
J.H.Zhou,
W.X.Huang,
Y.C.Zhu.
Hydrogen Sulfide Functions As A Micro-Modulator Bound at the Copper Active Site of Cu/Zn-Sod to Regulate the Catalytic Activity of the Enzyme. Cell Rep V. 42 12750 2023.
ISSN: ESSN 2211-1247
PubMed: 37421623
DOI: 10.1016/J.CELREP.2023.112750
Page generated: Tue Jul 30 10:34:39 2024
|