Potassium in PDB 4toa: 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
Enzymatic activity of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
All present enzymatic activity of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa:
1.16.3.1;
Protein crystallography data
The structure of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa, PDB code: 4toa
was solved by
S.Lovell,
K.P.Battaile,
H.Yao,
R.Kumar,
K.Eshelman,
M.Rivera,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
49.36 /
1.95
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
125.324,
203.287,
207.185,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
15.5 /
19.3
|
Other elements in 4toa:
The structure of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
(pdb code 4toa). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the
1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa, PDB code: 4toa:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
Potassium binding site 1 out
of 6 in 4toa
Go back to
Potassium Binding Sites List in 4toa
Potassium binding site 1 out
of 6 in the 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K207
b:28.2
occ:1.00
|
OE1
|
M:GLN151
|
2.4
|
14.5
|
1.0
|
OE1
|
X:GLN151
|
2.5
|
14.6
|
1.0
|
OE1
|
A:GLN151
|
2.5
|
12.5
|
1.0
|
OE1
|
L:GLN151
|
2.5
|
15.1
|
1.0
|
O
|
L:HOH423
|
2.5
|
21.1
|
1.0
|
CD
|
X:GLN151
|
3.3
|
16.5
|
1.0
|
CD
|
M:GLN151
|
3.3
|
16.0
|
1.0
|
CD
|
A:GLN151
|
3.3
|
15.9
|
1.0
|
CD
|
L:GLN151
|
3.3
|
18.6
|
1.0
|
NE2
|
X:GLN151
|
3.5
|
16.8
|
1.0
|
NE2
|
A:GLN151
|
3.5
|
16.4
|
1.0
|
NE2
|
L:GLN151
|
3.6
|
15.1
|
1.0
|
NE2
|
M:GLN151
|
3.6
|
12.6
|
1.0
|
CD2
|
M:LEU148
|
4.2
|
12.7
|
1.0
|
CD2
|
A:LEU148
|
4.2
|
13.7
|
1.0
|
CD2
|
X:LEU148
|
4.2
|
13.2
|
1.0
|
CD2
|
L:LEU148
|
4.3
|
16.3
|
1.0
|
O
|
X:HOH422
|
4.4
|
32.5
|
1.0
|
CG
|
M:GLN151
|
4.6
|
11.0
|
1.0
|
O
|
L:HOH408
|
4.6
|
31.7
|
1.0
|
CG
|
X:GLN151
|
4.7
|
14.9
|
1.0
|
CG
|
L:GLN151
|
4.7
|
13.4
|
1.0
|
CG
|
A:GLN151
|
4.7
|
15.8
|
1.0
|
|
Potassium binding site 2 out
of 6 in 4toa
Go back to
Potassium Binding Sites List in 4toa
Potassium binding site 2 out
of 6 in the 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K210
b:25.0
occ:1.00
|
OE1
|
H:GLN151
|
2.4
|
11.4
|
1.0
|
OE1
|
F:GLN151
|
2.4
|
10.8
|
1.0
|
O
|
H:HOH327
|
2.4
|
16.3
|
1.0
|
OE1
|
B:GLN151
|
2.4
|
10.9
|
1.0
|
OE1
|
D:GLN151
|
2.5
|
12.9
|
1.0
|
CD
|
H:GLN151
|
3.2
|
19.5
|
1.0
|
CD
|
B:GLN151
|
3.3
|
14.5
|
1.0
|
CD
|
F:GLN151
|
3.3
|
18.9
|
1.0
|
CD
|
D:GLN151
|
3.3
|
15.7
|
1.0
|
NE2
|
B:GLN151
|
3.4
|
14.9
|
1.0
|
NE2
|
H:GLN151
|
3.4
|
15.9
|
1.0
|
NE2
|
F:GLN151
|
3.6
|
10.8
|
1.0
|
NE2
|
D:GLN151
|
3.6
|
13.6
|
1.0
|
CD2
|
H:LEU148
|
4.2
|
12.7
|
1.0
|
CD2
|
B:LEU148
|
4.2
|
17.2
|
1.0
|
CD2
|
F:LEU148
|
4.2
|
13.4
|
1.0
|
CD2
|
D:LEU148
|
4.3
|
16.1
|
1.0
|
O
|
D:HOH358
|
4.4
|
31.1
|
1.0
|
O
|
F:HOH420
|
4.5
|
31.5
|
1.0
|
CG
|
H:GLN151
|
4.6
|
15.3
|
1.0
|
CG
|
F:GLN151
|
4.6
|
12.1
|
1.0
|
O
|
H:HOH412
|
4.6
|
31.5
|
1.0
|
CG
|
B:GLN151
|
4.7
|
9.2
|
1.0
|
CG
|
D:GLN151
|
4.7
|
10.4
|
1.0
|
|
Potassium binding site 3 out
of 6 in 4toa
Go back to
Potassium Binding Sites List in 4toa
Potassium binding site 3 out
of 6 in the 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:K208
b:28.2
occ:1.00
|
OE1
|
V:GLN151
|
2.4
|
13.7
|
1.0
|
OE1
|
J:GLN151
|
2.4
|
12.8
|
1.0
|
OE1
|
E:GLN151
|
2.5
|
16.1
|
1.0
|
OE1
|
Q:GLN151
|
2.5
|
15.8
|
1.0
|
O
|
V:HOH324
|
2.5
|
20.5
|
1.0
|
CD
|
V:GLN151
|
3.2
|
19.5
|
1.0
|
CD
|
E:GLN151
|
3.3
|
19.7
|
1.0
|
CD
|
J:GLN151
|
3.3
|
16.6
|
1.0
|
CD
|
Q:GLN151
|
3.3
|
16.3
|
1.0
|
NE2
|
V:GLN151
|
3.4
|
16.4
|
1.0
|
NE2
|
E:GLN151
|
3.5
|
15.0
|
1.0
|
NE2
|
J:GLN151
|
3.5
|
15.8
|
1.0
|
NE2
|
Q:GLN151
|
3.6
|
16.5
|
1.0
|
CD2
|
V:LEU148
|
4.1
|
18.2
|
1.0
|
CD2
|
Q:LEU148
|
4.2
|
17.4
|
1.0
|
CD2
|
E:LEU148
|
4.2
|
10.2
|
1.0
|
CD2
|
J:LEU148
|
4.3
|
15.5
|
1.0
|
O
|
V:HOH408
|
4.4
|
32.1
|
1.0
|
CG
|
E:GLN151
|
4.6
|
16.6
|
1.0
|
CG
|
V:GLN151
|
4.6
|
15.9
|
1.0
|
O
|
E:HOH382
|
4.6
|
30.8
|
1.0
|
CG
|
J:GLN151
|
4.7
|
16.1
|
1.0
|
O
|
J:HOH344
|
4.7
|
41.7
|
1.0
|
CG
|
Q:GLN151
|
4.7
|
12.6
|
1.0
|
|
Potassium binding site 4 out
of 6 in 4toa
Go back to
Potassium Binding Sites List in 4toa
Potassium binding site 4 out
of 6 in the 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
K:K207
b:31.3
occ:1.00
|
OE1
|
K:GLN151
|
2.4
|
14.7
|
1.0
|
O
|
U:HOH404
|
2.5
|
19.7
|
1.0
|
OE1
|
C:GLN151
|
2.5
|
15.3
|
1.0
|
OE1
|
U:GLN151
|
2.5
|
15.4
|
1.0
|
OE1
|
S:GLN151
|
2.5
|
17.8
|
1.0
|
CD
|
K:GLN151
|
3.3
|
16.9
|
1.0
|
CD
|
S:GLN151
|
3.3
|
15.8
|
1.0
|
CD
|
C:GLN151
|
3.3
|
16.4
|
1.0
|
CD
|
U:GLN151
|
3.4
|
18.4
|
1.0
|
NE2
|
S:GLN151
|
3.5
|
17.2
|
1.0
|
NE2
|
K:GLN151
|
3.5
|
16.5
|
1.0
|
NE2
|
C:GLN151
|
3.5
|
19.8
|
1.0
|
NE2
|
U:GLN151
|
3.7
|
15.5
|
1.0
|
CD2
|
K:LEU148
|
4.1
|
18.2
|
1.0
|
CD2
|
S:LEU148
|
4.2
|
15.2
|
1.0
|
CD2
|
U:LEU148
|
4.3
|
17.4
|
1.0
|
CD2
|
C:LEU148
|
4.3
|
16.3
|
1.0
|
O
|
U:HOH399
|
4.3
|
36.5
|
1.0
|
O
|
K:HOH404
|
4.3
|
33.6
|
1.0
|
CG
|
K:GLN151
|
4.6
|
17.3
|
1.0
|
CG
|
C:GLN151
|
4.7
|
14.4
|
1.0
|
CG
|
S:GLN151
|
4.7
|
16.8
|
1.0
|
CG
|
U:GLN151
|
4.7
|
17.5
|
1.0
|
O
|
S:HOH391
|
4.8
|
38.5
|
1.0
|
|
Potassium binding site 5 out
of 6 in 4toa
Go back to
Potassium Binding Sites List in 4toa
Potassium binding site 5 out
of 6 in the 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
R:K206
b:28.3
occ:1.00
|
OE1
|
P:GLN151
|
2.4
|
12.4
|
1.0
|
OE1
|
R:GLN151
|
2.4
|
14.7
|
1.0
|
OE1
|
T:GLN151
|
2.5
|
12.8
|
1.0
|
OE1
|
N:GLN151
|
2.5
|
11.2
|
1.0
|
O
|
T:HOH307
|
2.5
|
21.3
|
1.0
|
CD
|
R:GLN151
|
3.3
|
16.2
|
1.0
|
CD
|
P:GLN151
|
3.3
|
18.7
|
1.0
|
CD
|
N:GLN151
|
3.3
|
17.2
|
1.0
|
CD
|
T:GLN151
|
3.3
|
13.2
|
1.0
|
NE2
|
R:GLN151
|
3.4
|
13.3
|
1.0
|
NE2
|
T:GLN151
|
3.5
|
11.8
|
1.0
|
NE2
|
N:GLN151
|
3.5
|
15.3
|
1.0
|
NE2
|
P:GLN151
|
3.5
|
13.8
|
1.0
|
CD2
|
N:LEU148
|
4.2
|
11.9
|
1.0
|
CD2
|
P:LEU148
|
4.2
|
14.0
|
1.0
|
CD2
|
R:LEU148
|
4.2
|
13.0
|
1.0
|
CD2
|
T:LEU148
|
4.3
|
17.8
|
1.0
|
O
|
N:HOH414
|
4.3
|
31.9
|
1.0
|
O
|
P:HOH410
|
4.4
|
37.4
|
1.0
|
O
|
N:HOH432
|
4.4
|
30.7
|
1.0
|
CG
|
N:GLN151
|
4.6
|
13.4
|
1.0
|
CG
|
T:GLN151
|
4.6
|
12.1
|
1.0
|
CG
|
P:GLN151
|
4.7
|
14.2
|
1.0
|
CG
|
R:GLN151
|
4.7
|
16.9
|
1.0
|
|
Potassium binding site 6 out
of 6 in 4toa
Go back to
Potassium Binding Sites List in 4toa
Potassium binding site 6 out
of 6 in the 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 6 of 1.95A Resolution Structure of Iron Bound Bfrb (N148L) From Pseudomonas Aeruginosa within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
W:K205
b:28.1
occ:1.00
|
OE1
|
O:GLN151
|
2.4
|
12.0
|
1.0
|
OE1
|
W:GLN151
|
2.5
|
12.9
|
1.0
|
OE1
|
G:GLN151
|
2.5
|
11.5
|
1.0
|
OE1
|
I:GLN151
|
2.5
|
13.8
|
1.0
|
O
|
I:HOH314
|
2.5
|
20.1
|
1.0
|
CD
|
O:GLN151
|
3.3
|
21.8
|
1.0
|
CD
|
W:GLN151
|
3.3
|
17.8
|
1.0
|
CD
|
G:GLN151
|
3.3
|
13.9
|
1.0
|
CD
|
I:GLN151
|
3.4
|
14.0
|
1.0
|
NE2
|
W:GLN151
|
3.5
|
14.6
|
1.0
|
NE2
|
O:GLN151
|
3.5
|
14.5
|
1.0
|
NE2
|
G:GLN151
|
3.6
|
16.4
|
1.0
|
NE2
|
I:GLN151
|
3.6
|
14.5
|
1.0
|
CD2
|
O:LEU148
|
4.2
|
13.2
|
1.0
|
CD2
|
W:LEU148
|
4.2
|
12.3
|
1.0
|
CD2
|
I:LEU148
|
4.2
|
14.2
|
1.0
|
CD2
|
G:LEU148
|
4.2
|
13.0
|
1.0
|
O
|
I:HOH395
|
4.5
|
33.1
|
1.0
|
CG
|
O:GLN151
|
4.7
|
15.1
|
1.0
|
CG
|
G:GLN151
|
4.7
|
12.8
|
1.0
|
CG
|
W:GLN151
|
4.7
|
14.8
|
1.0
|
CG
|
I:GLN151
|
4.7
|
11.8
|
1.0
|
|
Reference:
H.Yao,
H.Rui,
R.Kumar,
K.Eshelman,
S.Lovell,
K.P.Battaile,
W.Im,
M.Rivera.
Concerted Motions Networking Pores and Distant Ferroxidase Centers Enable Bacterioferritin Function and Iron Traffic. Biochemistry 2015.
ISSN: ISSN 0006-2960
PubMed: 25640193
DOI: 10.1021/BI501255R
Page generated: Mon Aug 12 12:08:05 2024
|