Manganese in PDB 8fxd: Rubrerythrin From B. Pseudomallei: Manganese-Bound
Protein crystallography data
The structure of Rubrerythrin From B. Pseudomallei: Manganese-Bound, PDB code: 8fxd
was solved by
D.C.F.Monteiro,
M.E.Snell,
G.R.Budziszewski,
S.E.J.Bowman,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
29.14 /
1.58
|
Space group
|
H 3
|
Cell size a, b, c (Å), α, β, γ (°)
|
201.874,
201.874,
69.025,
90,
90,
120
|
R / Rfree (%)
|
14.8 /
17.6
|
Manganese Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Manganese atom in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
(pdb code 8fxd). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the
Rubrerythrin From B. Pseudomallei: Manganese-Bound, PDB code: 8fxd:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 1 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn202
b:10.0
occ:0.61
|
HD1
|
A:HIS56
|
1.3
|
10.9
|
0.0
|
OE1
|
B:GLU124
|
2.0
|
23.8
|
1.0
|
OE2
|
A:GLU53
|
2.1
|
15.7
|
1.0
|
OE1
|
A:GLU20
|
2.2
|
16.9
|
1.0
|
ND1
|
A:HIS56
|
2.2
|
10.9
|
1.0
|
OE2
|
A:GLU20
|
2.3
|
22.3
|
1.0
|
O
|
B:HOH322
|
2.4
|
24.2
|
1.0
|
CD
|
A:GLU20
|
2.6
|
16.6
|
1.0
|
CD
|
B:GLU124
|
2.9
|
18.4
|
1.0
|
CE1
|
A:HIS56
|
3.1
|
11.1
|
1.0
|
CD
|
A:GLU53
|
3.1
|
15.3
|
1.0
|
HE1
|
A:HIS56
|
3.2
|
11.1
|
1.0
|
HA
|
A:GLU53
|
3.3
|
10.9
|
1.0
|
CG
|
A:HIS56
|
3.3
|
10.1
|
1.0
|
OE2
|
B:GLU124
|
3.3
|
18.5
|
1.0
|
HB2
|
A:HIS56
|
3.4
|
10.0
|
1.0
|
HB3
|
A:HIS56
|
3.6
|
10.0
|
1.0
|
CB
|
A:HIS56
|
3.6
|
9.7
|
1.0
|
OE1
|
A:GLU53
|
3.7
|
14.3
|
1.0
|
MN
|
B:MN204
|
3.9
|
14.0
|
0.6
|
CG
|
A:GLU20
|
4.1
|
14.8
|
1.0
|
HE2
|
B:TYR98
|
4.1
|
14.6
|
1.0
|
CA
|
A:GLU53
|
4.2
|
10.8
|
1.0
|
HB3
|
A:GLU53
|
4.2
|
11.2
|
1.0
|
HE1
|
B:HIS127
|
4.2
|
11.1
|
1.0
|
OE1
|
B:GLU93
|
4.2
|
25.4
|
1.0
|
CG
|
B:GLU124
|
4.3
|
15.2
|
1.0
|
CG
|
A:GLU53
|
4.3
|
12.1
|
1.0
|
NE2
|
A:HIS56
|
4.3
|
11.6
|
1.0
|
O
|
B:HOH325
|
4.3
|
27.9
|
1.0
|
HG
|
B:LEU120
|
4.4
|
16.5
|
1.0
|
CD2
|
A:HIS56
|
4.4
|
10.8
|
1.0
|
HG3
|
A:GLU20
|
4.4
|
14.9
|
1.0
|
CB
|
A:GLU53
|
4.4
|
11.1
|
1.0
|
HG3
|
B:GLU124
|
4.4
|
15.4
|
1.0
|
HG2
|
B:GLU124
|
4.4
|
15.3
|
1.0
|
HD1
|
B:HIS127
|
4.4
|
11.3
|
0.0
|
HA
|
A:GLU20
|
4.5
|
11.8
|
1.0
|
HG2
|
A:GLU20
|
4.5
|
14.8
|
1.0
|
O
|
A:HOH399
|
4.6
|
29.7
|
1.0
|
HG3
|
A:GLU53
|
4.8
|
12.5
|
1.0
|
HB3
|
A:GLU20
|
4.8
|
13.3
|
1.0
|
OH
|
B:TYR98
|
4.8
|
14.2
|
1.0
|
N
|
A:GLU53
|
4.8
|
10.4
|
1.0
|
CE1
|
B:HIS127
|
4.9
|
10.9
|
1.0
|
O
|
A:GLY52
|
4.9
|
12.2
|
1.0
|
CE2
|
B:TYR98
|
4.9
|
14.7
|
1.0
|
ND1
|
B:HIS127
|
4.9
|
11.3
|
1.0
|
CB
|
A:GLU20
|
4.9
|
13.5
|
1.0
|
HG2
|
A:GLU53
|
4.9
|
12.5
|
1.0
|
|
Manganese binding site 2 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 2 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn203
b:13.9
occ:0.57
|
HD1
|
A:HIS127
|
1.4
|
13.1
|
0.0
|
OE2
|
A:GLU124
|
1.8
|
18.3
|
1.0
|
OE1
|
B:GLU53
|
2.0
|
14.7
|
1.0
|
OE1
|
A:GLU90
|
2.1
|
19.5
|
1.0
|
ND1
|
A:HIS127
|
2.3
|
13.2
|
1.0
|
OE2
|
A:GLU90
|
2.5
|
26.1
|
1.0
|
CD
|
A:GLU90
|
2.6
|
19.6
|
1.0
|
O
|
B:HOH341
|
2.8
|
30.9
|
1.0
|
CD
|
B:GLU53
|
2.9
|
14.9
|
1.0
|
CD
|
A:GLU124
|
3.0
|
17.6
|
1.0
|
OE2
|
B:GLU53
|
3.1
|
17.4
|
1.0
|
CE1
|
A:HIS127
|
3.2
|
12.1
|
1.0
|
O
|
A:HOH304
|
3.2
|
27.9
|
1.0
|
HE1
|
A:HIS127
|
3.3
|
12.2
|
1.0
|
CG
|
A:HIS127
|
3.3
|
11.2
|
1.0
|
HB2
|
A:HIS127
|
3.4
|
12.0
|
1.0
|
OE1
|
A:GLU124
|
3.5
|
23.1
|
1.0
|
HA
|
A:GLU124
|
3.5
|
14.1
|
1.0
|
HE2
|
B:TYR27
|
3.5
|
12.0
|
1.0
|
HB3
|
A:HIS127
|
3.5
|
12.0
|
1.0
|
CB
|
A:HIS127
|
3.6
|
12.1
|
1.0
|
MN
|
B:MN203
|
3.8
|
10.4
|
0.6
|
HG23
|
B:THR49
|
3.9
|
12.1
|
1.0
|
HG22
|
B:THR49
|
4.1
|
12.1
|
1.0
|
CG
|
A:GLU90
|
4.1
|
17.8
|
1.0
|
CG
|
A:GLU124
|
4.2
|
14.6
|
1.0
|
HB3
|
A:GLU124
|
4.2
|
14.1
|
1.0
|
CG
|
B:GLU53
|
4.3
|
12.3
|
1.0
|
HG21
|
B:THR49
|
4.3
|
12.1
|
1.0
|
CG2
|
B:THR49
|
4.3
|
12.5
|
1.0
|
OH
|
B:TYR27
|
4.3
|
16.8
|
1.0
|
NE2
|
A:HIS127
|
4.4
|
11.4
|
1.0
|
CA
|
A:GLU124
|
4.4
|
13.9
|
1.0
|
CE2
|
B:TYR27
|
4.4
|
11.7
|
1.0
|
CD2
|
A:HIS127
|
4.4
|
12.2
|
1.0
|
HG3
|
A:GLU90
|
4.4
|
17.7
|
1.0
|
HG3
|
B:GLU53
|
4.5
|
12.5
|
1.0
|
HG2
|
A:GLU90
|
4.5
|
17.6
|
1.0
|
CB
|
A:GLU124
|
4.5
|
13.9
|
1.0
|
HG2
|
B:GLU53
|
4.5
|
12.5
|
1.0
|
HD1
|
B:HIS56
|
4.5
|
14.1
|
0.0
|
HE1
|
B:HIS56
|
4.6
|
14.0
|
1.0
|
OE1
|
A:GLU93
|
4.6
|
31.1
|
1.0
|
HG3
|
A:GLU124
|
4.6
|
15.1
|
1.0
|
HE2
|
A:TYR131
|
4.8
|
11.5
|
1.0
|
OE2
|
A:GLU93
|
4.9
|
32.9
|
1.0
|
HG2
|
A:GLU124
|
4.9
|
15.1
|
1.0
|
CZ
|
B:TYR27
|
4.9
|
13.0
|
1.0
|
HB3
|
A:GLU90
|
4.9
|
15.9
|
1.0
|
HH
|
B:TYR27
|
5.0
|
16.8
|
0.0
|
|
Manganese binding site 3 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 3 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn203
b:10.4
occ:0.60
|
HD1
|
B:HIS56
|
1.4
|
14.1
|
0.0
|
OE1
|
A:GLU124
|
1.9
|
23.1
|
1.0
|
OE2
|
B:GLU53
|
2.0
|
17.4
|
1.0
|
ND1
|
B:HIS56
|
2.2
|
14.2
|
1.0
|
OE2
|
B:GLU20
|
2.2
|
18.6
|
1.0
|
OE1
|
B:GLU20
|
2.3
|
23.0
|
1.0
|
O
|
A:HOH304
|
2.4
|
27.9
|
1.0
|
CD
|
B:GLU20
|
2.6
|
18.1
|
1.0
|
CD
|
A:GLU124
|
2.9
|
17.6
|
1.0
|
CD
|
B:GLU53
|
3.1
|
14.9
|
1.0
|
CE1
|
B:HIS56
|
3.2
|
13.7
|
1.0
|
OE2
|
A:GLU124
|
3.2
|
18.3
|
1.0
|
CG
|
B:HIS56
|
3.3
|
13.3
|
1.0
|
HA
|
B:GLU53
|
3.3
|
10.2
|
1.0
|
HB2
|
B:HIS56
|
3.3
|
12.6
|
1.0
|
HE1
|
B:HIS56
|
3.3
|
14.0
|
1.0
|
HB3
|
B:HIS56
|
3.6
|
12.6
|
1.0
|
CB
|
B:HIS56
|
3.6
|
12.3
|
1.0
|
OE1
|
B:GLU53
|
3.7
|
14.7
|
1.0
|
MN
|
A:MN203
|
3.8
|
13.9
|
0.6
|
HE2
|
A:TYR98
|
4.0
|
15.8
|
1.0
|
CG
|
B:GLU20
|
4.1
|
15.9
|
1.0
|
HE1
|
A:HIS127
|
4.2
|
12.2
|
1.0
|
CA
|
B:GLU53
|
4.2
|
10.2
|
1.0
|
HB3
|
B:GLU53
|
4.2
|
11.0
|
1.0
|
OE1
|
A:GLU93
|
4.2
|
31.1
|
1.0
|
CG
|
A:GLU124
|
4.2
|
14.6
|
1.0
|
CG
|
B:GLU53
|
4.3
|
12.3
|
1.0
|
NE2
|
B:HIS56
|
4.3
|
14.4
|
1.0
|
HG3
|
A:GLU124
|
4.4
|
15.1
|
1.0
|
HG
|
A:LEU120
|
4.4
|
18.4
|
1.0
|
CD2
|
B:HIS56
|
4.4
|
13.8
|
1.0
|
HD1
|
A:HIS127
|
4.4
|
13.1
|
0.0
|
HG2
|
A:GLU124
|
4.4
|
15.1
|
1.0
|
CB
|
B:GLU53
|
4.4
|
10.9
|
1.0
|
O
|
B:HOH341
|
4.4
|
30.9
|
1.0
|
HG3
|
B:GLU20
|
4.5
|
16.1
|
1.0
|
HA
|
B:GLU20
|
4.6
|
12.3
|
1.0
|
HG2
|
B:GLU20
|
4.6
|
16.1
|
1.0
|
O
|
A:HOH398
|
4.6
|
31.8
|
1.0
|
HB3
|
B:GLU20
|
4.7
|
14.4
|
1.0
|
OH
|
A:TYR98
|
4.7
|
17.6
|
1.0
|
CE1
|
A:HIS127
|
4.8
|
12.1
|
1.0
|
N
|
B:GLU53
|
4.8
|
9.9
|
1.0
|
HG3
|
B:GLU53
|
4.8
|
12.5
|
1.0
|
CE2
|
A:TYR98
|
4.8
|
15.8
|
1.0
|
ND1
|
A:HIS127
|
4.9
|
13.2
|
1.0
|
CB
|
B:GLU20
|
4.9
|
14.7
|
1.0
|
HD21
|
A:LEU120
|
4.9
|
18.2
|
1.0
|
O
|
B:GLY52
|
4.9
|
12.1
|
1.0
|
HG2
|
B:GLU53
|
4.9
|
12.5
|
1.0
|
|
Manganese binding site 4 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 4 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn204
b:14.0
occ:0.58
|
HD1
|
B:HIS127
|
1.4
|
11.3
|
0.0
|
OE2
|
B:GLU124
|
1.9
|
18.5
|
1.0
|
OE1
|
B:GLU90
|
2.0
|
17.7
|
1.0
|
OE1
|
A:GLU53
|
2.1
|
14.3
|
1.0
|
ND1
|
B:HIS127
|
2.3
|
11.3
|
1.0
|
OE2
|
B:GLU90
|
2.5
|
20.1
|
1.0
|
CD
|
B:GLU90
|
2.6
|
17.0
|
1.0
|
O
|
B:HOH325
|
2.7
|
27.9
|
1.0
|
CD
|
A:GLU53
|
3.0
|
15.3
|
1.0
|
CD
|
B:GLU124
|
3.0
|
18.4
|
1.0
|
OE2
|
A:GLU53
|
3.2
|
15.7
|
1.0
|
CE1
|
B:HIS127
|
3.2
|
10.9
|
1.0
|
CG
|
B:HIS127
|
3.3
|
11.5
|
1.0
|
HB2
|
B:HIS127
|
3.3
|
11.8
|
1.0
|
HE1
|
B:HIS127
|
3.4
|
11.1
|
1.0
|
HA
|
B:GLU124
|
3.4
|
12.7
|
1.0
|
HE2
|
A:TYR27
|
3.5
|
13.2
|
1.0
|
HB3
|
B:HIS127
|
3.5
|
11.8
|
1.0
|
O
|
B:HOH322
|
3.5
|
24.2
|
1.0
|
CB
|
B:HIS127
|
3.6
|
11.7
|
1.0
|
OE1
|
B:GLU124
|
3.6
|
23.8
|
1.0
|
MN
|
A:MN202
|
3.9
|
10.0
|
0.6
|
HG23
|
A:THR49
|
3.9
|
10.8
|
1.0
|
HG22
|
A:THR49
|
4.0
|
10.9
|
1.0
|
CG
|
B:GLU90
|
4.1
|
14.6
|
1.0
|
HG21
|
A:THR49
|
4.2
|
10.8
|
1.0
|
HB3
|
B:GLU124
|
4.2
|
13.4
|
1.0
|
CG
|
B:GLU124
|
4.2
|
15.2
|
1.0
|
CG2
|
A:THR49
|
4.3
|
10.8
|
1.0
|
CA
|
B:GLU124
|
4.3
|
12.4
|
1.0
|
OH
|
A:TYR27
|
4.3
|
15.1
|
1.0
|
CE2
|
A:TYR27
|
4.3
|
13.4
|
1.0
|
CG
|
A:GLU53
|
4.4
|
12.1
|
1.0
|
HG3
|
B:GLU90
|
4.4
|
14.9
|
1.0
|
NE2
|
B:HIS127
|
4.4
|
11.2
|
1.0
|
HG2
|
B:GLU90
|
4.4
|
14.8
|
1.0
|
CD2
|
B:HIS127
|
4.4
|
11.8
|
1.0
|
CB
|
B:GLU124
|
4.5
|
13.1
|
1.0
|
HG3
|
A:GLU53
|
4.5
|
12.5
|
1.0
|
HG2
|
A:GLU53
|
4.6
|
12.5
|
1.0
|
HG3
|
B:GLU124
|
4.6
|
15.4
|
1.0
|
HE1
|
A:HIS56
|
4.7
|
11.1
|
1.0
|
HD1
|
A:HIS56
|
4.7
|
10.9
|
0.0
|
OE1
|
B:GLU93
|
4.7
|
25.4
|
1.0
|
OE2
|
B:GLU93
|
4.8
|
34.0
|
1.0
|
HE2
|
B:TYR131
|
4.8
|
12.5
|
1.0
|
CZ
|
A:TYR27
|
4.8
|
13.5
|
1.0
|
HB3
|
B:GLU90
|
4.8
|
13.6
|
1.0
|
HA
|
B:GLU90
|
4.9
|
12.7
|
1.0
|
HG2
|
B:GLU124
|
5.0
|
15.3
|
1.0
|
HH
|
A:TYR27
|
5.0
|
15.0
|
0.0
|
|
Manganese binding site 5 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 5 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Mn202
b:13.8
occ:0.55
|
HD1
|
M:HIS127
|
1.3
|
12.0
|
0.0
|
OE2
|
M:GLU124
|
1.9
|
19.3
|
1.0
|
OE1
|
M:GLU90
|
2.0
|
15.0
|
1.0
|
OE1
|
S:GLU53
|
2.1
|
13.3
|
1.0
|
ND1
|
M:HIS127
|
2.2
|
12.0
|
1.0
|
OE2
|
M:GLU90
|
2.6
|
19.0
|
1.0
|
CD
|
M:GLU90
|
2.6
|
16.9
|
1.0
|
O
|
M:HOH304
|
2.8
|
31.6
|
1.0
|
CD
|
S:GLU53
|
3.0
|
13.0
|
1.0
|
CD
|
M:GLU124
|
3.1
|
17.2
|
1.0
|
CE1
|
M:HIS127
|
3.1
|
12.2
|
1.0
|
OE2
|
S:GLU53
|
3.2
|
15.6
|
1.0
|
HE1
|
M:HIS127
|
3.2
|
12.0
|
1.0
|
CG
|
M:HIS127
|
3.2
|
11.7
|
1.0
|
HB2
|
M:HIS127
|
3.3
|
11.9
|
1.0
|
HA
|
M:GLU124
|
3.4
|
12.1
|
1.0
|
HE2
|
S:TYR27
|
3.5
|
12.1
|
1.0
|
HB3
|
M:HIS127
|
3.5
|
11.8
|
1.0
|
O
|
M:HOH309
|
3.5
|
23.8
|
1.0
|
CB
|
M:HIS127
|
3.6
|
11.7
|
1.0
|
OE1
|
M:GLU124
|
3.7
|
22.8
|
1.0
|
HG23
|
S:THR49
|
3.8
|
11.5
|
1.0
|
MN
|
S:MN202
|
3.9
|
10.7
|
0.6
|
HG22
|
S:THR49
|
4.0
|
11.5
|
1.0
|
CG
|
M:GLU90
|
4.1
|
14.0
|
1.0
|
HG21
|
S:THR49
|
4.2
|
11.5
|
1.0
|
CG2
|
S:THR49
|
4.2
|
11.7
|
1.0
|
CG
|
M:GLU124
|
4.2
|
14.0
|
1.0
|
NE2
|
M:HIS127
|
4.3
|
11.7
|
1.0
|
HB3
|
M:GLU124
|
4.3
|
13.0
|
1.0
|
CA
|
M:GLU124
|
4.3
|
12.6
|
1.0
|
CD2
|
M:HIS127
|
4.3
|
11.6
|
1.0
|
CG
|
S:GLU53
|
4.3
|
12.2
|
1.0
|
CE2
|
S:TYR27
|
4.3
|
12.0
|
1.0
|
OH
|
S:TYR27
|
4.4
|
15.2
|
1.0
|
HG3
|
M:GLU90
|
4.4
|
14.4
|
1.0
|
HG2
|
M:GLU90
|
4.5
|
14.4
|
1.0
|
CB
|
M:GLU124
|
4.5
|
12.7
|
1.0
|
HG3
|
S:GLU53
|
4.5
|
12.3
|
1.0
|
HG2
|
S:GLU53
|
4.6
|
12.2
|
1.0
|
HE1
|
S:HIS56
|
4.6
|
12.9
|
1.0
|
HG3
|
M:GLU124
|
4.6
|
14.4
|
1.0
|
OE2
|
M:GLU93
|
4.6
|
27.5
|
1.0
|
HD1
|
S:HIS56
|
4.7
|
12.2
|
0.0
|
HE2
|
M:TYR131
|
4.8
|
12.1
|
1.0
|
CZ
|
S:TYR27
|
4.9
|
12.1
|
1.0
|
OE1
|
M:GLU93
|
4.9
|
26.0
|
1.0
|
HA
|
M:GLU90
|
4.9
|
12.1
|
1.0
|
HB3
|
M:GLU90
|
4.9
|
13.0
|
1.0
|
HG2
|
M:GLU124
|
5.0
|
14.3
|
1.0
|
|
Manganese binding site 6 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 6 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
M:Mn203
b:14.2
occ:0.54
|
HD1
|
M:HIS56
|
1.3
|
14.8
|
0.0
|
OE1
|
S:GLU124
|
1.9
|
25.4
|
1.0
|
OE2
|
M:GLU53
|
2.1
|
19.8
|
1.0
|
ND1
|
M:HIS56
|
2.1
|
14.7
|
1.0
|
OE2
|
M:GLU20
|
2.2
|
20.0
|
1.0
|
OE1
|
M:GLU20
|
2.5
|
26.4
|
1.0
|
CD
|
M:GLU20
|
2.6
|
20.5
|
1.0
|
CD
|
S:GLU124
|
2.8
|
19.6
|
1.0
|
CE1
|
M:HIS56
|
3.0
|
14.3
|
1.0
|
CD
|
M:GLU53
|
3.1
|
15.5
|
1.0
|
HE1
|
M:HIS56
|
3.1
|
14.4
|
1.0
|
O
|
S:HOH314
|
3.2
|
36.7
|
1.0
|
OE2
|
S:GLU124
|
3.2
|
20.3
|
1.0
|
CG
|
M:HIS56
|
3.2
|
13.4
|
1.0
|
HA
|
M:GLU53
|
3.2
|
12.8
|
1.0
|
HB2
|
M:HIS56
|
3.4
|
12.9
|
1.0
|
HB3
|
M:HIS56
|
3.6
|
12.9
|
1.0
|
CB
|
M:HIS56
|
3.6
|
12.6
|
1.0
|
OE1
|
M:GLU53
|
3.7
|
17.0
|
1.0
|
MN
|
S:MN201
|
3.8
|
13.2
|
0.6
|
O
|
M:HOH313
|
3.9
|
34.5
|
1.0
|
HE2
|
S:TYR98
|
4.1
|
19.5
|
1.0
|
CG
|
M:GLU20
|
4.1
|
16.4
|
1.0
|
CA
|
M:GLU53
|
4.1
|
12.7
|
1.0
|
NE2
|
M:HIS56
|
4.2
|
14.2
|
1.0
|
CG
|
S:GLU124
|
4.2
|
17.6
|
1.0
|
HB3
|
M:GLU53
|
4.2
|
13.2
|
1.0
|
HE1
|
S:HIS127
|
4.2
|
13.4
|
1.0
|
OE1
|
S:GLU93
|
4.2
|
31.2
|
1.0
|
CG
|
M:GLU53
|
4.3
|
13.9
|
1.0
|
CD2
|
M:HIS56
|
4.3
|
13.8
|
1.0
|
HG2
|
S:GLU124
|
4.3
|
17.9
|
1.0
|
HG3
|
S:GLU124
|
4.4
|
17.9
|
1.0
|
HG
|
S:LEU120
|
4.4
|
20.3
|
1.0
|
CB
|
M:GLU53
|
4.4
|
13.2
|
1.0
|
HG3
|
M:GLU20
|
4.4
|
17.0
|
1.0
|
HD1
|
S:HIS127
|
4.4
|
13.7
|
0.0
|
HA
|
M:GLU20
|
4.5
|
13.9
|
1.0
|
HB3
|
M:GLU20
|
4.6
|
15.3
|
1.0
|
HG2
|
M:GLU20
|
4.7
|
17.0
|
1.0
|
N
|
M:GLU53
|
4.8
|
12.4
|
1.0
|
HG3
|
M:GLU53
|
4.8
|
14.1
|
1.0
|
OH
|
S:TYR98
|
4.8
|
18.4
|
1.0
|
CE1
|
S:HIS127
|
4.9
|
13.1
|
1.0
|
CB
|
M:GLU20
|
4.9
|
15.6
|
1.0
|
CE2
|
S:TYR98
|
4.9
|
20.0
|
1.0
|
ND1
|
S:HIS127
|
4.9
|
13.7
|
1.0
|
HG2
|
M:GLU53
|
4.9
|
14.0
|
1.0
|
HE2
|
M:HIS56
|
4.9
|
14.2
|
0.0
|
O
|
M:GLY52
|
5.0
|
12.4
|
1.0
|
|
Manganese binding site 7 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 7 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Mn201
b:13.2
occ:0.63
|
HD1
|
S:HIS127
|
1.3
|
13.7
|
0.0
|
OE2
|
S:GLU124
|
1.9
|
20.3
|
1.0
|
OE1
|
M:GLU53
|
2.1
|
17.0
|
1.0
|
OE1
|
S:GLU90
|
2.1
|
22.4
|
1.0
|
ND1
|
S:HIS127
|
2.2
|
13.7
|
1.0
|
O
|
M:HOH313
|
2.4
|
34.5
|
1.0
|
OE2
|
S:GLU90
|
2.4
|
22.2
|
1.0
|
CD
|
S:GLU90
|
2.6
|
20.6
|
1.0
|
CD
|
M:GLU53
|
2.9
|
15.5
|
1.0
|
CD
|
S:GLU124
|
3.0
|
19.6
|
1.0
|
CE1
|
S:HIS127
|
3.1
|
13.1
|
1.0
|
OE2
|
M:GLU53
|
3.1
|
19.8
|
1.0
|
HE1
|
S:HIS127
|
3.2
|
13.4
|
1.0
|
CG
|
S:HIS127
|
3.3
|
14.6
|
1.0
|
HB2
|
S:HIS127
|
3.4
|
14.5
|
1.0
|
HA
|
S:GLU124
|
3.5
|
16.9
|
1.0
|
HE2
|
M:TYR27
|
3.6
|
15.2
|
1.0
|
OE1
|
S:GLU124
|
3.6
|
25.4
|
1.0
|
HB3
|
S:HIS127
|
3.6
|
14.5
|
1.0
|
CB
|
S:HIS127
|
3.6
|
14.5
|
1.0
|
MN
|
M:MN203
|
3.8
|
14.2
|
0.5
|
HG23
|
M:THR49
|
4.0
|
12.3
|
1.0
|
CG
|
S:GLU90
|
4.1
|
18.8
|
1.0
|
HG22
|
M:THR49
|
4.1
|
12.4
|
1.0
|
HB3
|
S:GLU124
|
4.2
|
17.4
|
1.0
|
CG
|
S:GLU124
|
4.2
|
17.6
|
1.0
|
O
|
S:HOH314
|
4.3
|
36.7
|
1.0
|
NE2
|
S:HIS127
|
4.3
|
13.9
|
1.0
|
CG
|
M:GLU53
|
4.3
|
13.9
|
1.0
|
CA
|
S:GLU124
|
4.3
|
17.0
|
1.0
|
CD2
|
S:HIS127
|
4.4
|
14.0
|
1.0
|
OH
|
M:TYR27
|
4.4
|
18.7
|
1.0
|
CG2
|
M:THR49
|
4.4
|
12.3
|
1.0
|
HG21
|
M:THR49
|
4.4
|
12.4
|
1.0
|
HG3
|
S:GLU90
|
4.4
|
18.9
|
1.0
|
CB
|
S:GLU124
|
4.4
|
17.4
|
1.0
|
CE2
|
M:TYR27
|
4.4
|
15.1
|
1.0
|
HG2
|
S:GLU90
|
4.5
|
18.9
|
1.0
|
HE1
|
M:HIS56
|
4.5
|
14.4
|
1.0
|
HG3
|
M:GLU53
|
4.5
|
14.1
|
1.0
|
HD1
|
M:HIS56
|
4.6
|
14.8
|
0.0
|
HG2
|
M:GLU53
|
4.6
|
14.0
|
1.0
|
HG3
|
S:GLU124
|
4.6
|
17.9
|
1.0
|
HE2
|
S:TYR131
|
4.8
|
15.4
|
1.0
|
HA
|
S:GLU90
|
4.9
|
17.2
|
1.0
|
OE2
|
S:GLU93
|
4.9
|
36.1
|
1.0
|
HB3
|
S:GLU90
|
4.9
|
17.6
|
1.0
|
HG2
|
S:GLU124
|
4.9
|
17.9
|
1.0
|
CZ
|
M:TYR27
|
5.0
|
16.0
|
1.0
|
OE1
|
S:GLU93
|
5.0
|
31.2
|
1.0
|
HH
|
M:TYR27
|
5.0
|
18.7
|
0.0
|
|
Manganese binding site 8 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 8 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
S:Mn202
b:10.7
occ:0.63
|
HD1
|
S:HIS56
|
1.3
|
12.2
|
0.0
|
OE1
|
M:GLU124
|
2.0
|
22.8
|
1.0
|
OE2
|
S:GLU53
|
2.1
|
15.6
|
1.0
|
OE2
|
S:GLU20
|
2.1
|
16.6
|
1.0
|
ND1
|
S:HIS56
|
2.2
|
12.2
|
1.0
|
OE1
|
S:GLU20
|
2.4
|
21.0
|
1.0
|
O
|
M:HOH309
|
2.4
|
23.8
|
1.0
|
CD
|
S:GLU20
|
2.6
|
17.2
|
1.0
|
CD
|
M:GLU124
|
2.9
|
17.2
|
1.0
|
CE1
|
S:HIS56
|
3.1
|
13.3
|
1.0
|
CD
|
S:GLU53
|
3.1
|
13.0
|
1.0
|
HE1
|
S:HIS56
|
3.2
|
12.9
|
1.0
|
HA
|
S:GLU53
|
3.2
|
11.1
|
1.0
|
CG
|
S:HIS56
|
3.3
|
12.3
|
1.0
|
OE2
|
M:GLU124
|
3.3
|
19.3
|
1.0
|
HB2
|
S:HIS56
|
3.3
|
11.9
|
1.0
|
CB
|
S:HIS56
|
3.7
|
11.7
|
1.0
|
HB3
|
S:HIS56
|
3.7
|
11.8
|
1.0
|
OE1
|
S:GLU53
|
3.7
|
13.3
|
1.0
|
MN
|
M:MN202
|
3.9
|
13.8
|
0.6
|
HE2
|
M:TYR98
|
4.0
|
14.5
|
1.0
|
CG
|
S:GLU20
|
4.1
|
14.3
|
1.0
|
HB3
|
S:GLU53
|
4.1
|
11.8
|
1.0
|
CA
|
S:GLU53
|
4.1
|
11.1
|
1.0
|
OE1
|
M:GLU93
|
4.2
|
26.0
|
1.0
|
CG
|
M:GLU124
|
4.2
|
14.0
|
1.0
|
HE1
|
M:HIS127
|
4.2
|
12.0
|
1.0
|
CG
|
S:GLU53
|
4.3
|
12.2
|
1.0
|
NE2
|
S:HIS56
|
4.3
|
12.9
|
1.0
|
O
|
M:HOH304
|
4.3
|
31.6
|
1.0
|
CD2
|
S:HIS56
|
4.3
|
12.8
|
1.0
|
CB
|
S:GLU53
|
4.4
|
11.9
|
1.0
|
O
|
M:HOH391
|
4.4
|
32.3
|
1.0
|
HG3
|
M:GLU124
|
4.4
|
14.4
|
1.0
|
HG2
|
M:GLU124
|
4.4
|
14.3
|
1.0
|
HG
|
M:LEU120
|
4.4
|
14.3
|
1.0
|
HG3
|
S:GLU20
|
4.4
|
14.6
|
1.0
|
HA
|
S:GLU20
|
4.5
|
12.6
|
1.0
|
HD1
|
M:HIS127
|
4.5
|
12.0
|
0.0
|
HG2
|
S:GLU20
|
4.6
|
14.6
|
1.0
|
HB3
|
S:GLU20
|
4.7
|
13.4
|
1.0
|
OH
|
M:TYR98
|
4.7
|
13.2
|
1.0
|
HG3
|
S:GLU53
|
4.8
|
12.3
|
1.0
|
N
|
S:GLU53
|
4.8
|
10.5
|
1.0
|
CE2
|
M:TYR98
|
4.8
|
14.3
|
1.0
|
CB
|
S:GLU20
|
4.9
|
13.2
|
1.0
|
CE1
|
M:HIS127
|
4.9
|
12.2
|
1.0
|
HG2
|
S:GLU53
|
4.9
|
12.2
|
1.0
|
O
|
S:GLY52
|
4.9
|
10.9
|
1.0
|
HD21
|
M:LEU120
|
5.0
|
13.7
|
1.0
|
ND1
|
M:HIS127
|
5.0
|
12.0
|
1.0
|
|
Manganese binding site 9 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 9 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Y:Mn202
b:13.3
occ:0.63
|
HD1
|
Y:HIS127
|
1.3
|
11.0
|
0.0
|
OE2
|
Y:GLU124
|
1.9
|
21.5
|
1.0
|
OE1
|
5:GLU53
|
2.0
|
14.4
|
1.0
|
OE1
|
Y:GLU90
|
2.1
|
17.6
|
1.0
|
ND1
|
Y:HIS127
|
2.2
|
11.1
|
1.0
|
OE2
|
Y:GLU90
|
2.4
|
21.5
|
1.0
|
O
|
5:HOH319
|
2.5
|
33.7
|
1.0
|
CD
|
Y:GLU90
|
2.6
|
19.0
|
1.0
|
CD
|
5:GLU53
|
2.9
|
15.4
|
1.0
|
CE1
|
Y:HIS127
|
3.1
|
11.6
|
1.0
|
CD
|
Y:GLU124
|
3.1
|
20.8
|
1.0
|
OE2
|
5:GLU53
|
3.2
|
17.7
|
1.0
|
HE1
|
Y:HIS127
|
3.2
|
11.7
|
1.0
|
CG
|
Y:HIS127
|
3.2
|
11.8
|
1.0
|
HB2
|
Y:HIS127
|
3.3
|
12.7
|
1.0
|
HB3
|
Y:HIS127
|
3.5
|
12.7
|
1.0
|
HE2
|
5:TYR27
|
3.5
|
12.1
|
1.0
|
HA
|
Y:GLU124
|
3.5
|
12.7
|
1.0
|
O
|
Y:HOH330
|
3.6
|
29.1
|
1.0
|
CB
|
Y:HIS127
|
3.6
|
13.1
|
1.0
|
OE1
|
Y:GLU124
|
3.7
|
29.1
|
1.0
|
HG23
|
5:THR49
|
3.8
|
10.3
|
1.0
|
MN
|
5:MN204
|
3.9
|
11.2
|
0.6
|
CG
|
Y:GLU90
|
4.1
|
15.0
|
1.0
|
HG22
|
5:THR49
|
4.1
|
10.3
|
1.0
|
HG21
|
5:THR49
|
4.2
|
10.3
|
1.0
|
CG2
|
5:THR49
|
4.2
|
10.2
|
1.0
|
NE2
|
Y:HIS127
|
4.3
|
12.7
|
1.0
|
OH
|
5:TYR27
|
4.3
|
14.5
|
1.0
|
CG
|
Y:GLU124
|
4.3
|
15.5
|
1.0
|
CG
|
5:GLU53
|
4.3
|
12.6
|
1.0
|
HB3
|
Y:GLU124
|
4.3
|
13.9
|
1.0
|
CD2
|
Y:HIS127
|
4.4
|
13.7
|
1.0
|
CE2
|
5:TYR27
|
4.4
|
12.3
|
1.0
|
HG3
|
Y:GLU90
|
4.4
|
15.6
|
1.0
|
CA
|
Y:GLU124
|
4.4
|
12.6
|
1.0
|
HG2
|
Y:GLU90
|
4.4
|
15.6
|
1.0
|
HG3
|
5:GLU53
|
4.5
|
12.9
|
1.0
|
HG2
|
5:GLU53
|
4.5
|
12.9
|
1.0
|
HE1
|
5:HIS56
|
4.5
|
13.1
|
1.0
|
CB
|
Y:GLU124
|
4.6
|
13.8
|
1.0
|
HD1
|
5:HIS56
|
4.7
|
12.7
|
0.0
|
HG3
|
Y:GLU124
|
4.7
|
16.2
|
1.0
|
HE2
|
Y:TYR131
|
4.8
|
13.4
|
1.0
|
HB3
|
Y:GLU90
|
4.8
|
14.3
|
1.0
|
OE2
|
Y:GLU93
|
4.8
|
35.5
|
1.0
|
CZ
|
5:TYR27
|
4.8
|
12.5
|
1.0
|
HA
|
Y:GLU90
|
4.9
|
14.0
|
1.0
|
HH
|
5:TYR27
|
4.9
|
14.6
|
0.0
|
OE1
|
Y:GLU93
|
5.0
|
24.9
|
1.0
|
CB
|
Y:GLU90
|
5.0
|
14.1
|
1.0
|
|
Manganese binding site 10 out
of 12 in 8fxd
Go back to
Manganese Binding Sites List in 8fxd
Manganese binding site 10 out
of 12 in the Rubrerythrin From B. Pseudomallei: Manganese-Bound
Mono view
Stereo pair view
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of Rubrerythrin From B. Pseudomallei: Manganese-Bound within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
Y:Mn203
b:16.3
occ:0.59
|
HD1
|
Y:HIS56
|
1.3
|
14.2
|
0.0
|
OE1
|
5:GLU124
|
1.9
|
30.9
|
1.0
|
OE2
|
Y:GLU53
|
2.0
|
19.2
|
1.0
|
OE2
|
Y:GLU20
|
2.1
|
20.7
|
1.0
|
ND1
|
Y:HIS56
|
2.1
|
14.2
|
1.0
|
O
|
Y:HOH319
|
2.3
|
37.7
|
1.0
|
OE1
|
Y:GLU20
|
2.5
|
28.8
|
1.0
|
CD
|
Y:GLU20
|
2.6
|
22.7
|
1.0
|
CD
|
5:GLU124
|
2.8
|
21.8
|
1.0
|
CE1
|
Y:HIS56
|
3.0
|
14.8
|
1.0
|
HE1
|
Y:HIS56
|
3.1
|
14.6
|
1.0
|
CD
|
Y:GLU53
|
3.1
|
17.1
|
1.0
|
OE2
|
5:GLU124
|
3.1
|
21.9
|
1.0
|
CG
|
Y:HIS56
|
3.2
|
13.3
|
1.0
|
HA
|
Y:GLU53
|
3.2
|
12.9
|
1.0
|
HB2
|
Y:HIS56
|
3.3
|
12.3
|
1.0
|
HB3
|
Y:HIS56
|
3.6
|
12.3
|
1.0
|
CB
|
Y:HIS56
|
3.6
|
11.7
|
1.0
|
OE1
|
Y:GLU53
|
3.8
|
18.2
|
1.0
|
MN
|
5:MN203
|
3.8
|
12.8
|
0.6
|
O
|
Y:HOH336
|
3.9
|
36.3
|
1.0
|
CG
|
Y:GLU20
|
4.1
|
17.9
|
1.0
|
HB3
|
Y:GLU53
|
4.1
|
13.7
|
1.0
|
CA
|
Y:GLU53
|
4.1
|
12.5
|
1.0
|
HE1
|
5:HIS127
|
4.2
|
15.4
|
1.0
|
HE2
|
5:TYR98
|
4.2
|
20.6
|
1.0
|
NE2
|
Y:HIS56
|
4.2
|
14.8
|
1.0
|
CG
|
5:GLU124
|
4.2
|
19.1
|
1.0
|
OE1
|
5:GLU93
|
4.2
|
35.5
|
1.0
|
CG
|
Y:GLU53
|
4.3
|
14.2
|
1.0
|
CD2
|
Y:HIS56
|
4.3
|
14.3
|
1.0
|
HG3
|
5:GLU124
|
4.3
|
19.5
|
1.0
|
HG
|
5:LEU120
|
4.4
|
20.6
|
1.0
|
HG3
|
Y:GLU20
|
4.4
|
18.1
|
1.0
|
CB
|
Y:GLU53
|
4.4
|
14.1
|
1.0
|
HG2
|
5:GLU124
|
4.4
|
19.4
|
1.0
|
HD1
|
5:HIS127
|
4.4
|
13.9
|
0.0
|
HA
|
Y:GLU20
|
4.5
|
14.3
|
1.0
|
HG2
|
Y:GLU20
|
4.6
|
18.1
|
1.0
|
HB3
|
Y:GLU20
|
4.7
|
15.3
|
1.0
|
N
|
Y:GLU53
|
4.8
|
12.7
|
1.0
|
CE1
|
5:HIS127
|
4.8
|
16.0
|
1.0
|
OH
|
5:TYR98
|
4.8
|
19.6
|
1.0
|
HG3
|
Y:GLU53
|
4.8
|
14.8
|
1.0
|
CB
|
Y:GLU20
|
4.9
|
14.7
|
1.0
|
ND1
|
5:HIS127
|
4.9
|
13.9
|
1.0
|
CE2
|
5:TYR98
|
4.9
|
20.5
|
1.0
|
HG2
|
Y:GLU53
|
4.9
|
14.7
|
1.0
|
O
|
Y:GLY52
|
4.9
|
13.7
|
1.0
|
HE2
|
Y:HIS56
|
4.9
|
14.8
|
0.0
|
|
Reference:
D.C.F.Monteiro,
M.E.Snell,
G.R.Budziszewski,
S.E.J.Bowman.
Rubrerythrin From B. Pseudomallei: Manganese-Bound To Be Published.
Page generated: Sun Oct 6 12:11:45 2024
|