Iron in PDB 9jg7: Artificial Serine-Dependent Beta-Lactamase, S2
Protein crystallography data
The structure of Artificial Serine-Dependent Beta-Lactamase, S2, PDB code: 9jg7
was solved by
W.J.Song,
J.Yu,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
35.72 /
1.93
|
|
Space group
|
P 21 21 21
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
67.099,
92.031,
142.456,
90,
90,
90
|
|
R / Rfree (%)
|
18.4 /
23.1
|
Other elements in 9jg7:
The structure of Artificial Serine-Dependent Beta-Lactamase, S2 also contains other interesting chemical elements:
Iron Binding Sites:
The binding sites of Iron atom in the Artificial Serine-Dependent Beta-Lactamase, S2
(pdb code 9jg7). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Artificial Serine-Dependent Beta-Lactamase, S2, PDB code: 9jg7:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 9jg7
Go back to
Iron Binding Sites List in 9jg7
Iron binding site 1 out
of 8 in the Artificial Serine-Dependent Beta-Lactamase, S2
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Artificial Serine-Dependent Beta-Lactamase, S2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:15.1
occ:1.00
|
FE
|
A:HEC201
|
0.0
|
15.1
|
1.0
|
|
NE2
|
A:HIS102
|
2.0
|
14.8
|
1.0
|
|
ND
|
A:HEC201
|
2.0
|
16.9
|
1.0
|
|
NA
|
A:HEC201
|
2.0
|
14.8
|
1.0
|
|
NB
|
A:HEC201
|
2.1
|
15.5
|
1.0
|
|
NC
|
A:HEC201
|
2.1
|
13.8
|
1.0
|
|
SD
|
A:MET7
|
2.4
|
15.7
|
1.0
|
|
CE1
|
A:HIS102
|
2.9
|
16.7
|
1.0
|
|
CD2
|
A:HIS102
|
3.0
|
14.5
|
1.0
|
|
C1A
|
A:HEC201
|
3.0
|
17.6
|
1.0
|
|
C4D
|
A:HEC201
|
3.0
|
19.1
|
1.0
|
|
C4A
|
A:HEC201
|
3.1
|
16.4
|
1.0
|
|
C4B
|
A:HEC201
|
3.1
|
15.7
|
1.0
|
|
C1D
|
A:HEC201
|
3.1
|
15.4
|
1.0
|
|
C1B
|
A:HEC201
|
3.1
|
16.9
|
1.0
|
|
C1C
|
A:HEC201
|
3.1
|
15.2
|
1.0
|
|
C4C
|
A:HEC201
|
3.1
|
14.0
|
1.0
|
|
CHA
|
A:HEC201
|
3.4
|
19.8
|
1.0
|
|
CHC
|
A:HEC201
|
3.4
|
14.9
|
1.0
|
|
CHB
|
A:HEC201
|
3.5
|
16.6
|
1.0
|
|
CG
|
A:MET7
|
3.5
|
13.5
|
1.0
|
|
CHD
|
A:HEC201
|
3.5
|
13.9
|
1.0
|
|
CE
|
A:MET7
|
3.5
|
14.5
|
1.0
|
|
ND1
|
A:HIS102
|
4.1
|
15.6
|
1.0
|
|
CG
|
A:HIS102
|
4.1
|
14.0
|
1.0
|
|
CB
|
A:MET7
|
4.2
|
16.9
|
1.0
|
|
C2A
|
A:HEC201
|
4.2
|
14.9
|
1.0
|
|
C3A
|
A:HEC201
|
4.3
|
17.5
|
1.0
|
|
C3D
|
A:HEC201
|
4.3
|
16.4
|
1.0
|
|
C2D
|
A:HEC201
|
4.3
|
17.5
|
1.0
|
|
C3B
|
A:HEC201
|
4.3
|
15.5
|
1.0
|
|
C2B
|
A:HEC201
|
4.3
|
17.4
|
1.0
|
|
C3C
|
A:HEC201
|
4.3
|
14.3
|
1.0
|
|
C2C
|
A:HEC201
|
4.3
|
14.4
|
1.0
|
|
Iron binding site 2 out
of 8 in 9jg7
Go back to
Iron Binding Sites List in 9jg7
Iron binding site 2 out
of 8 in the Artificial Serine-Dependent Beta-Lactamase, S2
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Artificial Serine-Dependent Beta-Lactamase, S2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:13.2
occ:1.00
|
FE
|
C:HEC201
|
0.0
|
13.2
|
1.0
|
|
NE2
|
C:HIS102
|
2.0
|
14.0
|
1.0
|
|
NB
|
C:HEC201
|
2.0
|
12.1
|
1.0
|
|
NA
|
C:HEC201
|
2.0
|
15.4
|
1.0
|
|
ND
|
C:HEC201
|
2.0
|
13.7
|
1.0
|
|
NC
|
C:HEC201
|
2.0
|
11.2
|
1.0
|
|
SD
|
C:MET7
|
2.4
|
15.0
|
1.0
|
|
CE1
|
C:HIS102
|
3.0
|
16.5
|
1.0
|
|
CD2
|
C:HIS102
|
3.0
|
14.7
|
1.0
|
|
C4B
|
C:HEC201
|
3.0
|
15.1
|
1.0
|
|
C1A
|
C:HEC201
|
3.0
|
18.3
|
1.0
|
|
C1D
|
C:HEC201
|
3.1
|
16.4
|
1.0
|
|
C4D
|
C:HEC201
|
3.1
|
15.0
|
1.0
|
|
C4A
|
C:HEC201
|
3.1
|
15.8
|
1.0
|
|
C1C
|
C:HEC201
|
3.1
|
13.5
|
1.0
|
|
C4C
|
C:HEC201
|
3.1
|
13.7
|
1.0
|
|
C1B
|
C:HEC201
|
3.1
|
16.0
|
1.0
|
|
CHC
|
C:HEC201
|
3.4
|
13.4
|
1.0
|
|
CHA
|
C:HEC201
|
3.4
|
16.3
|
1.0
|
|
CHD
|
C:HEC201
|
3.4
|
13.6
|
1.0
|
|
CE
|
C:MET7
|
3.4
|
14.9
|
1.0
|
|
CG
|
C:MET7
|
3.5
|
11.4
|
1.0
|
|
CHB
|
C:HEC201
|
3.5
|
13.3
|
1.0
|
|
ND1
|
C:HIS102
|
4.1
|
14.2
|
1.0
|
|
CG
|
C:HIS102
|
4.1
|
12.9
|
1.0
|
|
CB
|
C:MET7
|
4.2
|
15.3
|
1.0
|
|
C2A
|
C:HEC201
|
4.3
|
15.8
|
1.0
|
|
C3A
|
C:HEC201
|
4.3
|
17.9
|
1.0
|
|
C3B
|
C:HEC201
|
4.3
|
14.0
|
1.0
|
|
C2D
|
C:HEC201
|
4.3
|
16.2
|
1.0
|
|
C3D
|
C:HEC201
|
4.3
|
15.0
|
1.0
|
|
C2B
|
C:HEC201
|
4.3
|
15.3
|
1.0
|
|
C2C
|
C:HEC201
|
4.3
|
13.3
|
1.0
|
|
C3C
|
C:HEC201
|
4.3
|
12.2
|
1.0
|
|
Iron binding site 3 out
of 8 in 9jg7
Go back to
Iron Binding Sites List in 9jg7
Iron binding site 3 out
of 8 in the Artificial Serine-Dependent Beta-Lactamase, S2
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Artificial Serine-Dependent Beta-Lactamase, S2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe201
b:15.7
occ:1.00
|
FE
|
E:HEC201
|
0.0
|
15.7
|
1.0
|
|
ND
|
E:HEC201
|
2.0
|
11.8
|
1.0
|
|
NC
|
E:HEC201
|
2.0
|
13.6
|
1.0
|
|
NE2
|
E:HIS102
|
2.0
|
13.9
|
1.0
|
|
NA
|
E:HEC201
|
2.0
|
16.2
|
1.0
|
|
NB
|
E:HEC201
|
2.1
|
14.7
|
1.0
|
|
SD
|
E:MET7
|
2.4
|
15.8
|
1.0
|
|
CD2
|
E:HIS102
|
2.9
|
15.2
|
1.0
|
|
C1D
|
E:HEC201
|
3.0
|
13.0
|
1.0
|
|
C4D
|
E:HEC201
|
3.0
|
15.7
|
1.0
|
|
C1C
|
E:HEC201
|
3.0
|
14.5
|
1.0
|
|
C4C
|
E:HEC201
|
3.0
|
14.2
|
1.0
|
|
C4B
|
E:HEC201
|
3.0
|
15.9
|
1.0
|
|
C1A
|
E:HEC201
|
3.1
|
17.1
|
1.0
|
|
C4A
|
E:HEC201
|
3.1
|
18.6
|
1.0
|
|
CE1
|
E:HIS102
|
3.1
|
18.9
|
1.0
|
|
C1B
|
E:HEC201
|
3.1
|
17.4
|
1.0
|
|
CE
|
E:MET7
|
3.4
|
16.9
|
1.0
|
|
CHD
|
E:HEC201
|
3.4
|
12.6
|
1.0
|
|
CHC
|
E:HEC201
|
3.4
|
13.9
|
1.0
|
|
CHA
|
E:HEC201
|
3.4
|
16.5
|
1.0
|
|
CHB
|
E:HEC201
|
3.5
|
14.6
|
1.0
|
|
CG
|
E:MET7
|
3.5
|
14.6
|
1.0
|
|
CG
|
E:HIS102
|
4.1
|
17.2
|
1.0
|
|
ND1
|
E:HIS102
|
4.1
|
15.8
|
1.0
|
|
CB
|
E:MET7
|
4.2
|
18.0
|
1.0
|
|
C2D
|
E:HEC201
|
4.2
|
14.2
|
1.0
|
|
C3D
|
E:HEC201
|
4.2
|
14.0
|
1.0
|
|
C2C
|
E:HEC201
|
4.3
|
16.1
|
1.0
|
|
C3C
|
E:HEC201
|
4.3
|
13.6
|
1.0
|
|
C2A
|
E:HEC201
|
4.3
|
20.7
|
1.0
|
|
C3B
|
E:HEC201
|
4.3
|
16.3
|
1.0
|
|
C3A
|
E:HEC201
|
4.3
|
19.1
|
1.0
|
|
C2B
|
E:HEC201
|
4.3
|
17.6
|
1.0
|
|
NH1
|
E:ARG106
|
4.8
|
21.2
|
1.0
|
|
Iron binding site 4 out
of 8 in 9jg7
Go back to
Iron Binding Sites List in 9jg7
Iron binding site 4 out
of 8 in the Artificial Serine-Dependent Beta-Lactamase, S2
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Artificial Serine-Dependent Beta-Lactamase, S2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe201
b:16.9
occ:1.00
|
FE
|
G:HEC201
|
0.0
|
16.9
|
1.0
|
|
NB
|
G:HEC201
|
2.0
|
11.1
|
1.0
|
|
ND
|
G:HEC201
|
2.0
|
16.2
|
1.0
|
|
NA
|
G:HEC201
|
2.0
|
17.3
|
1.0
|
|
NE2
|
G:HIS102
|
2.1
|
14.9
|
1.0
|
|
NC
|
G:HEC201
|
2.1
|
14.3
|
1.0
|
|
SD
|
G:MET7
|
2.4
|
16.1
|
1.0
|
|
C4B
|
G:HEC201
|
3.0
|
16.2
|
1.0
|
|
C4D
|
G:HEC201
|
3.0
|
17.8
|
1.0
|
|
CD2
|
G:HIS102
|
3.0
|
16.3
|
1.0
|
|
C1B
|
G:HEC201
|
3.0
|
17.1
|
1.0
|
|
C1D
|
G:HEC201
|
3.0
|
16.2
|
1.0
|
|
C1A
|
G:HEC201
|
3.1
|
18.2
|
1.0
|
|
CE1
|
G:HIS102
|
3.1
|
19.5
|
1.0
|
|
C1C
|
G:HEC201
|
3.1
|
15.0
|
1.0
|
|
C4A
|
G:HEC201
|
3.1
|
17.1
|
1.0
|
|
C4C
|
G:HEC201
|
3.1
|
14.1
|
1.0
|
|
CE
|
G:MET7
|
3.4
|
16.6
|
1.0
|
|
CHA
|
G:HEC201
|
3.4
|
20.1
|
1.0
|
|
CHC
|
G:HEC201
|
3.4
|
15.1
|
1.0
|
|
CHB
|
G:HEC201
|
3.4
|
17.9
|
1.0
|
|
CG
|
G:MET7
|
3.4
|
14.4
|
1.0
|
|
CHD
|
G:HEC201
|
3.5
|
16.1
|
1.0
|
|
ND1
|
G:HIS102
|
4.2
|
19.6
|
1.0
|
|
CG
|
G:HIS102
|
4.2
|
18.7
|
1.0
|
|
C3D
|
G:HEC201
|
4.2
|
19.3
|
1.0
|
|
C2B
|
G:HEC201
|
4.2
|
15.8
|
1.0
|
|
CB
|
G:MET7
|
4.2
|
19.2
|
1.0
|
|
C3B
|
G:HEC201
|
4.2
|
15.9
|
1.0
|
|
C2D
|
G:HEC201
|
4.2
|
18.9
|
1.0
|
|
C3A
|
G:HEC201
|
4.3
|
21.3
|
1.0
|
|
C2A
|
G:HEC201
|
4.3
|
22.0
|
1.0
|
|
C2C
|
G:HEC201
|
4.3
|
15.3
|
1.0
|
|
C3C
|
G:HEC201
|
4.3
|
12.5
|
1.0
|
|
NH1
|
G:ARG106
|
5.0
|
24.0
|
1.0
|
|
Iron binding site 5 out
of 8 in 9jg7
Go back to
Iron Binding Sites List in 9jg7
Iron binding site 5 out
of 8 in the Artificial Serine-Dependent Beta-Lactamase, S2
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Artificial Serine-Dependent Beta-Lactamase, S2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe201
b:21.6
occ:1.00
|
FE
|
I:HEC201
|
0.0
|
21.6
|
1.0
|
|
NE2
|
I:HIS102
|
1.9
|
22.9
|
1.0
|
|
ND
|
I:HEC201
|
2.0
|
20.2
|
1.0
|
|
NB
|
I:HEC201
|
2.0
|
21.5
|
1.0
|
|
NA
|
I:HEC201
|
2.1
|
23.4
|
1.0
|
|
NC
|
I:HEC201
|
2.1
|
19.3
|
1.0
|
|
SD
|
I:MET7
|
2.4
|
23.1
|
1.0
|
|
CE1
|
I:HIS102
|
2.9
|
23.1
|
1.0
|
|
CD2
|
I:HIS102
|
3.0
|
23.2
|
1.0
|
|
C4D
|
I:HEC201
|
3.0
|
27.0
|
1.0
|
|
C4B
|
I:HEC201
|
3.0
|
20.6
|
1.0
|
|
C1D
|
I:HEC201
|
3.0
|
22.6
|
1.0
|
|
C1A
|
I:HEC201
|
3.1
|
27.5
|
1.0
|
|
C1C
|
I:HEC201
|
3.1
|
20.7
|
1.0
|
|
C1B
|
I:HEC201
|
3.1
|
23.9
|
1.0
|
|
C4A
|
I:HEC201
|
3.1
|
24.4
|
1.0
|
|
C4C
|
I:HEC201
|
3.1
|
21.4
|
1.0
|
|
CG
|
I:MET7
|
3.4
|
17.8
|
1.0
|
|
CHA
|
I:HEC201
|
3.4
|
23.4
|
1.0
|
|
CHC
|
I:HEC201
|
3.4
|
19.2
|
1.0
|
|
CE
|
I:MET7
|
3.4
|
17.8
|
1.0
|
|
CHD
|
I:HEC201
|
3.5
|
21.8
|
1.0
|
|
CHB
|
I:HEC201
|
3.5
|
24.3
|
1.0
|
|
ND1
|
I:HIS102
|
4.0
|
26.4
|
1.0
|
|
CG
|
I:HIS102
|
4.1
|
27.7
|
1.0
|
|
CB
|
I:MET7
|
4.1
|
25.5
|
1.0
|
|
C3D
|
I:HEC201
|
4.2
|
24.6
|
1.0
|
|
C2D
|
I:HEC201
|
4.2
|
22.4
|
1.0
|
|
C3B
|
I:HEC201
|
4.3
|
24.8
|
1.0
|
|
C2B
|
I:HEC201
|
4.3
|
25.9
|
1.0
|
|
C2A
|
I:HEC201
|
4.3
|
26.8
|
1.0
|
|
C3A
|
I:HEC201
|
4.3
|
28.2
|
1.0
|
|
C2C
|
I:HEC201
|
4.3
|
18.0
|
1.0
|
|
C3C
|
I:HEC201
|
4.3
|
19.4
|
1.0
|
|
CA
|
I:MET7
|
5.0
|
22.6
|
1.0
|
|
Iron binding site 6 out
of 8 in 9jg7
Go back to
Iron Binding Sites List in 9jg7
Iron binding site 6 out
of 8 in the Artificial Serine-Dependent Beta-Lactamase, S2
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Artificial Serine-Dependent Beta-Lactamase, S2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:Fe201
b:28.0
occ:1.00
|
FE
|
K:HEC201
|
0.0
|
28.0
|
1.0
|
|
NE2
|
K:HIS102
|
1.9
|
26.6
|
1.0
|
|
NB
|
K:HEC201
|
2.0
|
23.9
|
1.0
|
|
ND
|
K:HEC201
|
2.1
|
28.5
|
1.0
|
|
NC
|
K:HEC201
|
2.1
|
25.7
|
1.0
|
|
NA
|
K:HEC201
|
2.1
|
28.2
|
1.0
|
|
SD
|
K:MET7
|
2.5
|
28.9
|
1.0
|
|
CE1
|
K:HIS102
|
2.8
|
26.6
|
1.0
|
|
CD2
|
K:HIS102
|
3.0
|
26.8
|
1.0
|
|
C4B
|
K:HEC201
|
3.0
|
29.0
|
1.0
|
|
C1C
|
K:HEC201
|
3.0
|
26.1
|
1.0
|
|
C4D
|
K:HEC201
|
3.1
|
28.2
|
1.0
|
|
C1A
|
K:HEC201
|
3.1
|
30.9
|
1.0
|
|
C1B
|
K:HEC201
|
3.1
|
28.6
|
1.0
|
|
C4A
|
K:HEC201
|
3.1
|
26.6
|
1.0
|
|
C1D
|
K:HEC201
|
3.1
|
25.9
|
1.0
|
|
C4C
|
K:HEC201
|
3.1
|
25.0
|
1.0
|
|
CHC
|
K:HEC201
|
3.3
|
25.9
|
1.0
|
|
CHA
|
K:HEC201
|
3.4
|
30.4
|
1.0
|
|
CE
|
K:MET7
|
3.5
|
23.8
|
1.0
|
|
CG
|
K:MET7
|
3.5
|
27.2
|
1.0
|
|
CHB
|
K:HEC201
|
3.5
|
28.2
|
1.0
|
|
CHD
|
K:HEC201
|
3.5
|
28.3
|
1.0
|
|
ND1
|
K:HIS102
|
4.0
|
24.2
|
1.0
|
|
CG
|
K:HIS102
|
4.1
|
23.9
|
1.0
|
|
C3B
|
K:HEC201
|
4.2
|
26.4
|
1.0
|
|
CB
|
K:MET7
|
4.2
|
27.9
|
1.0
|
|
C2B
|
K:HEC201
|
4.3
|
28.7
|
1.0
|
|
C2C
|
K:HEC201
|
4.3
|
21.2
|
1.0
|
|
C3D
|
K:HEC201
|
4.3
|
31.9
|
1.0
|
|
C2D
|
K:HEC201
|
4.3
|
26.9
|
1.0
|
|
C2A
|
K:HEC201
|
4.3
|
32.2
|
1.0
|
|
C3A
|
K:HEC201
|
4.3
|
32.3
|
1.0
|
|
C3C
|
K:HEC201
|
4.3
|
25.8
|
1.0
|
|
Iron binding site 7 out
of 8 in 9jg7
Go back to
Iron Binding Sites List in 9jg7
Iron binding site 7 out
of 8 in the Artificial Serine-Dependent Beta-Lactamase, S2
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Artificial Serine-Dependent Beta-Lactamase, S2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Fe201
b:23.9
occ:1.00
|
FE
|
M:HEC201
|
0.0
|
23.9
|
1.0
|
|
NB
|
M:HEC201
|
2.0
|
19.1
|
1.0
|
|
ND
|
M:HEC201
|
2.0
|
25.3
|
1.0
|
|
NC
|
M:HEC201
|
2.0
|
18.2
|
1.0
|
|
NA
|
M:HEC201
|
2.1
|
26.9
|
1.0
|
|
NE2
|
M:HIS102
|
2.1
|
23.7
|
1.0
|
|
SD
|
M:MET7
|
2.5
|
25.5
|
1.0
|
|
C4B
|
M:HEC201
|
3.0
|
22.0
|
1.0
|
|
C1C
|
M:HEC201
|
3.0
|
21.1
|
1.0
|
|
CD2
|
M:HIS102
|
3.0
|
24.5
|
1.0
|
|
C1B
|
M:HEC201
|
3.0
|
24.9
|
1.0
|
|
C4D
|
M:HEC201
|
3.1
|
27.5
|
1.0
|
|
C1D
|
M:HEC201
|
3.1
|
27.8
|
1.0
|
|
C1A
|
M:HEC201
|
3.1
|
28.7
|
1.0
|
|
C4C
|
M:HEC201
|
3.1
|
22.2
|
1.0
|
|
C4A
|
M:HEC201
|
3.1
|
26.8
|
1.0
|
|
CE1
|
M:HIS102
|
3.2
|
25.0
|
1.0
|
|
CHC
|
M:HEC201
|
3.3
|
23.3
|
1.0
|
|
CHA
|
M:HEC201
|
3.4
|
28.3
|
1.0
|
|
CE
|
M:MET7
|
3.4
|
24.4
|
1.0
|
|
CHD
|
M:HEC201
|
3.5
|
23.7
|
1.0
|
|
CHB
|
M:HEC201
|
3.5
|
27.5
|
1.0
|
|
CG
|
M:MET7
|
3.5
|
27.2
|
1.0
|
|
CG
|
M:HIS102
|
4.2
|
26.4
|
1.0
|
|
C3B
|
M:HEC201
|
4.2
|
22.3
|
1.0
|
|
C2B
|
M:HEC201
|
4.2
|
23.9
|
1.0
|
|
ND1
|
M:HIS102
|
4.2
|
22.0
|
1.0
|
|
C2C
|
M:HEC201
|
4.3
|
18.3
|
1.0
|
|
CB
|
M:MET7
|
4.3
|
28.4
|
1.0
|
|
C2D
|
M:HEC201
|
4.3
|
22.6
|
1.0
|
|
C3D
|
M:HEC201
|
4.3
|
30.9
|
1.0
|
|
C3C
|
M:HEC201
|
4.3
|
16.4
|
1.0
|
|
C2A
|
M:HEC201
|
4.3
|
30.4
|
1.0
|
|
C3A
|
M:HEC201
|
4.3
|
28.5
|
1.0
|
|
Iron binding site 8 out
of 8 in 9jg7
Go back to
Iron Binding Sites List in 9jg7
Iron binding site 8 out
of 8 in the Artificial Serine-Dependent Beta-Lactamase, S2
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Artificial Serine-Dependent Beta-Lactamase, S2 within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
O:Fe201
b:27.7
occ:1.00
|
FE
|
O:HEC201
|
0.0
|
27.7
|
1.0
|
|
NE2
|
O:HIS102
|
2.0
|
28.6
|
1.0
|
|
NA
|
O:HEC201
|
2.0
|
27.0
|
1.0
|
|
NB
|
O:HEC201
|
2.0
|
25.3
|
1.0
|
|
ND
|
O:HEC201
|
2.0
|
27.6
|
1.0
|
|
NC
|
O:HEC201
|
2.0
|
28.2
|
1.0
|
|
SD
|
O:MET7
|
2.6
|
29.8
|
1.0
|
|
CD2
|
O:HIS102
|
3.0
|
28.6
|
1.0
|
|
CE1
|
O:HIS102
|
3.0
|
30.9
|
1.0
|
|
C4B
|
O:HEC201
|
3.0
|
25.0
|
1.0
|
|
C4D
|
O:HEC201
|
3.0
|
29.2
|
1.0
|
|
C1C
|
O:HEC201
|
3.0
|
23.5
|
1.0
|
|
C1A
|
O:HEC201
|
3.0
|
34.6
|
1.0
|
|
C1B
|
O:HEC201
|
3.1
|
28.4
|
1.0
|
|
C4A
|
O:HEC201
|
3.1
|
29.1
|
1.0
|
|
C1D
|
O:HEC201
|
3.1
|
23.8
|
1.0
|
|
C4C
|
O:HEC201
|
3.1
|
27.4
|
1.0
|
|
CHC
|
O:HEC201
|
3.4
|
26.9
|
1.0
|
|
CHA
|
O:HEC201
|
3.4
|
30.0
|
1.0
|
|
CHB
|
O:HEC201
|
3.5
|
27.4
|
1.0
|
|
CHD
|
O:HEC201
|
3.5
|
27.4
|
1.0
|
|
CE
|
O:MET7
|
3.5
|
24.1
|
1.0
|
|
CG
|
O:MET7
|
3.6
|
25.7
|
1.0
|
|
ND1
|
O:HIS102
|
4.1
|
34.2
|
1.0
|
|
CG
|
O:HIS102
|
4.1
|
29.7
|
1.0
|
|
CB
|
O:MET7
|
4.2
|
27.1
|
1.0
|
|
C3B
|
O:HEC201
|
4.3
|
27.4
|
1.0
|
|
C3D
|
O:HEC201
|
4.3
|
26.8
|
1.0
|
|
C2A
|
O:HEC201
|
4.3
|
33.3
|
1.0
|
|
C2C
|
O:HEC201
|
4.3
|
24.5
|
1.0
|
|
C2D
|
O:HEC201
|
4.3
|
26.9
|
1.0
|
|
C2B
|
O:HEC201
|
4.3
|
24.2
|
1.0
|
|
C3A
|
O:HEC201
|
4.3
|
31.7
|
1.0
|
|
C3C
|
O:HEC201
|
4.3
|
26.0
|
1.0
|
|
Reference:
W.J.Song,
J.Yu.
Chemical Crossover Between Metallo- and Serine-Dependent Beta-Lactamases To Be Published.
Page generated: Sat Dec 13 17:28:16 2025
|
