Manganese in PDB 4q3t: Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
Enzymatic activity of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
All present enzymatic activity of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha:
3.5.3.1;
Protein crystallography data
The structure of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha, PDB code: 4q3t
was solved by
Y.Hai,
J.E.Edwards,
M.C.Van Zandt,
K.F.Hoffmann,
D.W.Christianson,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.30 /
2.14
|
|
Space group
|
P 21 3
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
177.762,
177.762,
177.762,
90.00,
90.00,
90.00
|
|
R / Rfree (%)
|
17.6 /
20.9
|
Manganese Binding Sites:
The binding sites of Manganese atom in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
(pdb code 4q3t). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the
Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha, PDB code: 4q3t:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Manganese binding site 1 out
of 8 in 4q3t
Go back to
Manganese Binding Sites List in 4q3t
Manganese binding site 1 out
of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn401
b:14.1
occ:1.00
|
OH1
|
A:HAR405
|
1.8
|
26.5
|
0.7
|
|
OH1
|
A:HAR405
|
2.0
|
37.7
|
0.3
|
|
OD1
|
A:ASP158
|
2.1
|
18.9
|
1.0
|
|
OD2
|
A:ASP154
|
2.1
|
12.8
|
1.0
|
|
OD2
|
A:ASP262
|
2.2
|
12.7
|
1.0
|
|
ND1
|
A:HIS131
|
2.2
|
13.7
|
1.0
|
|
NH1
|
A:HAR405
|
2.6
|
53.2
|
0.3
|
|
NH1
|
A:HAR405
|
2.8
|
30.8
|
0.7
|
|
NH2
|
A:HAR405
|
2.9
|
39.6
|
0.7
|
|
CG
|
A:ASP158
|
3.0
|
15.4
|
1.0
|
|
CG
|
A:ASP154
|
3.1
|
16.6
|
1.0
|
|
CZ
|
A:HAR405
|
3.2
|
49.1
|
0.7
|
|
CG
|
A:ASP262
|
3.2
|
14.2
|
1.0
|
|
CE1
|
A:HIS131
|
3.2
|
13.3
|
1.0
|
|
CG
|
A:HIS131
|
3.2
|
16.9
|
1.0
|
|
MN
|
A:MN402
|
3.3
|
15.9
|
1.0
|
|
OD1
|
A:ASP154
|
3.4
|
11.8
|
1.0
|
|
OD2
|
A:ASP158
|
3.4
|
20.3
|
1.0
|
|
CB
|
A:HIS131
|
3.5
|
10.9
|
1.0
|
|
CB
|
A:ASP262
|
3.6
|
9.8
|
1.0
|
|
CZ
|
A:HAR405
|
3.7
|
41.7
|
0.3
|
|
NH2
|
A:HAR405
|
4.2
|
36.3
|
0.3
|
|
OD1
|
A:ASP262
|
4.2
|
12.6
|
1.0
|
|
NE2
|
A:HIS131
|
4.3
|
13.8
|
1.0
|
|
CD2
|
A:HIS131
|
4.3
|
9.4
|
1.0
|
|
NE1
|
A:TRP152
|
4.4
|
11.8
|
1.0
|
|
CB
|
A:ASP158
|
4.4
|
12.9
|
1.0
|
|
CB
|
A:ASP154
|
4.5
|
11.7
|
1.0
|
|
CZ2
|
A:TRP152
|
4.6
|
13.3
|
1.0
|
|
NE
|
A:HAR405
|
4.6
|
39.7
|
0.7
|
|
CG
|
A:GLU307
|
4.6
|
12.9
|
1.0
|
|
O
|
A:HIS171
|
4.6
|
19.0
|
1.0
|
|
NE
|
A:HAR405
|
4.7
|
47.1
|
0.3
|
|
CE2
|
A:TRP152
|
4.8
|
14.1
|
1.0
|
|
OD1
|
A:ASP264
|
4.9
|
14.8
|
1.0
|
|
CA
|
A:ASP262
|
4.9
|
13.8
|
1.0
|
|
CD
|
A:HAR405
|
4.9
|
53.8
|
0.3
|
|
OE2
|
A:GLU307
|
4.9
|
18.5
|
1.0
|
|
OD2
|
A:ASP264
|
5.0
|
13.2
|
1.0
|
|
Manganese binding site 2 out
of 8 in 4q3t
Go back to
Manganese Binding Sites List in 4q3t
Manganese binding site 2 out
of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn402
b:15.9
occ:1.00
|
OH1
|
A:HAR405
|
1.8
|
26.5
|
0.7
|
|
OD1
|
A:ASP154
|
2.1
|
11.8
|
1.0
|
|
OD1
|
A:ASP264
|
2.1
|
14.8
|
1.0
|
|
ND1
|
A:HIS156
|
2.2
|
12.2
|
1.0
|
|
OD2
|
A:ASP264
|
2.3
|
13.2
|
1.0
|
|
OD2
|
A:ASP262
|
2.4
|
12.7
|
1.0
|
|
NH1
|
A:HAR405
|
2.4
|
30.8
|
0.7
|
|
CG
|
A:ASP264
|
2.6
|
11.1
|
1.0
|
|
CE1
|
A:HIS156
|
3.1
|
18.9
|
1.0
|
|
CG
|
A:ASP262
|
3.1
|
14.2
|
1.0
|
|
CG
|
A:ASP154
|
3.2
|
16.6
|
1.0
|
|
CZ
|
A:HAR405
|
3.3
|
41.7
|
0.3
|
|
MN
|
A:MN401
|
3.3
|
14.1
|
1.0
|
|
CG
|
A:HIS156
|
3.3
|
17.6
|
1.0
|
|
NH2
|
A:HAR405
|
3.4
|
36.3
|
0.3
|
|
OD2
|
A:ASP154
|
3.5
|
12.8
|
1.0
|
|
NH1
|
A:HAR405
|
3.6
|
53.2
|
0.3
|
|
CZ
|
A:HAR405
|
3.6
|
49.1
|
0.7
|
|
OD1
|
A:ASP262
|
3.7
|
12.6
|
1.0
|
|
CB
|
A:HIS156
|
3.8
|
14.0
|
1.0
|
|
NE
|
A:HAR405
|
3.8
|
47.1
|
0.3
|
|
OH1
|
A:HAR405
|
3.9
|
37.7
|
0.3
|
|
N
|
A:HIS156
|
3.9
|
12.4
|
1.0
|
|
CB
|
A:ASP262
|
4.0
|
9.8
|
1.0
|
|
CB
|
A:ASP264
|
4.1
|
9.3
|
1.0
|
|
OG1
|
A:THR276
|
4.2
|
18.8
|
1.0
|
|
N
|
A:ALA155
|
4.2
|
12.3
|
1.0
|
|
NE2
|
A:HIS156
|
4.2
|
14.8
|
1.0
|
|
NH2
|
A:HAR405
|
4.3
|
39.6
|
0.7
|
|
CD2
|
A:HIS156
|
4.4
|
19.3
|
1.0
|
|
CD
|
A:HAR405
|
4.4
|
53.8
|
0.3
|
|
CA
|
A:HIS156
|
4.5
|
12.6
|
1.0
|
|
CB
|
A:ASP154
|
4.5
|
11.7
|
1.0
|
|
NE
|
A:HAR405
|
4.6
|
39.7
|
0.7
|
|
OD2
|
A:ASP158
|
4.6
|
20.3
|
1.0
|
|
CD
|
A:HAR405
|
4.6
|
54.5
|
0.7
|
|
O
|
A:HOH586
|
4.6
|
16.5
|
1.0
|
|
CB
|
A:ALA155
|
4.6
|
16.3
|
1.0
|
|
C
|
A:ALA155
|
4.7
|
16.6
|
1.0
|
|
CA
|
A:ALA155
|
4.8
|
14.4
|
1.0
|
|
OD1
|
A:ASP158
|
4.8
|
18.9
|
1.0
|
|
CA
|
A:ASP154
|
4.8
|
13.0
|
1.0
|
|
C
|
A:ASP154
|
5.0
|
12.9
|
1.0
|
|
CA
|
A:ASP264
|
5.0
|
12.8
|
1.0
|
|
O
|
A:THR276
|
5.0
|
17.9
|
1.0
|
|
Manganese binding site 3 out
of 8 in 4q3t
Go back to
Manganese Binding Sites List in 4q3t
Manganese binding site 3 out
of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn401
b:14.6
occ:1.00
|
OH1
|
B:HAR405
|
1.8
|
35.1
|
0.8
|
|
OH1
|
B:HAR405
|
2.0
|
38.1
|
0.2
|
|
OD1
|
B:ASP158
|
2.1
|
16.5
|
1.0
|
|
OD2
|
B:ASP154
|
2.2
|
12.9
|
1.0
|
|
OD2
|
B:ASP262
|
2.2
|
12.5
|
1.0
|
|
ND1
|
B:HIS131
|
2.2
|
15.2
|
1.0
|
|
NH1
|
B:HAR405
|
2.6
|
34.1
|
0.8
|
|
NH1
|
B:HAR405
|
2.6
|
49.7
|
0.2
|
|
NH2
|
B:HAR405
|
2.7
|
31.9
|
0.8
|
|
CZ
|
B:HAR405
|
2.9
|
48.5
|
0.8
|
|
CG
|
B:ASP158
|
3.0
|
17.5
|
1.0
|
|
CG
|
B:ASP154
|
3.2
|
15.9
|
1.0
|
|
CG
|
B:HIS131
|
3.2
|
13.5
|
1.0
|
|
CE1
|
B:HIS131
|
3.2
|
13.1
|
1.0
|
|
CG
|
B:ASP262
|
3.2
|
16.4
|
1.0
|
|
MN
|
B:MN402
|
3.3
|
16.0
|
1.0
|
|
OD2
|
B:ASP158
|
3.4
|
16.9
|
1.0
|
|
CB
|
B:HIS131
|
3.5
|
15.7
|
1.0
|
|
OD1
|
B:ASP154
|
3.5
|
12.6
|
1.0
|
|
CB
|
B:ASP262
|
3.6
|
9.1
|
1.0
|
|
CZ
|
B:HAR405
|
3.7
|
44.2
|
0.2
|
|
NH2
|
B:HAR405
|
4.2
|
37.1
|
0.2
|
|
NE2
|
B:HIS131
|
4.3
|
16.4
|
1.0
|
|
OD1
|
B:ASP262
|
4.3
|
14.1
|
1.0
|
|
NE
|
B:HAR405
|
4.3
|
44.3
|
0.8
|
|
CD2
|
B:HIS131
|
4.3
|
13.0
|
1.0
|
|
CB
|
B:ASP158
|
4.4
|
12.1
|
1.0
|
|
NE1
|
B:TRP152
|
4.4
|
13.6
|
1.0
|
|
CB
|
B:ASP154
|
4.5
|
11.8
|
1.0
|
|
O
|
B:HIS171
|
4.6
|
18.4
|
1.0
|
|
CZ2
|
B:TRP152
|
4.6
|
12.1
|
1.0
|
|
CG
|
B:GLU307
|
4.6
|
10.6
|
1.0
|
|
NE
|
B:HAR405
|
4.7
|
46.2
|
0.2
|
|
OD1
|
B:ASP264
|
4.9
|
13.3
|
1.0
|
|
CA
|
B:ASP262
|
4.9
|
11.4
|
1.0
|
|
CE2
|
B:TRP152
|
4.9
|
13.4
|
1.0
|
|
CD
|
B:HAR405
|
4.9
|
50.3
|
0.2
|
|
OE2
|
B:GLU307
|
4.9
|
14.1
|
1.0
|
|
CA
|
B:HIS131
|
5.0
|
15.6
|
1.0
|
|
Manganese binding site 4 out
of 8 in 4q3t
Go back to
Manganese Binding Sites List in 4q3t
Manganese binding site 4 out
of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn402
b:16.0
occ:1.00
|
OH1
|
B:HAR405
|
1.8
|
35.1
|
0.8
|
|
OD1
|
B:ASP264
|
2.2
|
13.3
|
1.0
|
|
OD1
|
B:ASP154
|
2.2
|
12.6
|
1.0
|
|
ND1
|
B:HIS156
|
2.2
|
18.3
|
1.0
|
|
NH1
|
B:HAR405
|
2.3
|
34.1
|
0.8
|
|
OD2
|
B:ASP262
|
2.3
|
12.5
|
1.0
|
|
OD2
|
B:ASP264
|
2.4
|
12.9
|
1.0
|
|
CG
|
B:ASP264
|
2.6
|
15.3
|
1.0
|
|
CE1
|
B:HIS156
|
3.0
|
15.2
|
1.0
|
|
CG
|
B:ASP262
|
3.1
|
16.4
|
1.0
|
|
CG
|
B:ASP154
|
3.2
|
15.9
|
1.0
|
|
CZ
|
B:HAR405
|
3.3
|
44.2
|
0.2
|
|
MN
|
B:MN401
|
3.3
|
14.6
|
1.0
|
|
NH2
|
B:HAR405
|
3.4
|
37.1
|
0.2
|
|
CG
|
B:HIS156
|
3.4
|
16.1
|
1.0
|
|
OD2
|
B:ASP154
|
3.5
|
12.9
|
1.0
|
|
CZ
|
B:HAR405
|
3.5
|
48.5
|
0.8
|
|
NH1
|
B:HAR405
|
3.6
|
49.7
|
0.2
|
|
OD1
|
B:ASP262
|
3.7
|
14.1
|
1.0
|
|
NE
|
B:HAR405
|
3.8
|
46.2
|
0.2
|
|
CB
|
B:HIS156
|
3.8
|
12.3
|
1.0
|
|
OH1
|
B:HAR405
|
3.9
|
38.1
|
0.2
|
|
N
|
B:HIS156
|
4.0
|
10.8
|
1.0
|
|
CB
|
B:ASP262
|
4.0
|
9.1
|
1.0
|
|
CB
|
B:ASP264
|
4.1
|
10.9
|
1.0
|
|
N
|
B:ALA155
|
4.2
|
10.3
|
1.0
|
|
NE2
|
B:HIS156
|
4.2
|
16.0
|
1.0
|
|
NH2
|
B:HAR405
|
4.2
|
31.9
|
0.8
|
|
OG1
|
B:THR276
|
4.2
|
20.2
|
1.0
|
|
CD2
|
B:HIS156
|
4.4
|
16.6
|
1.0
|
|
CD
|
B:HAR405
|
4.4
|
51.2
|
0.8
|
|
NE
|
B:HAR405
|
4.4
|
44.3
|
0.8
|
|
CD
|
B:HAR405
|
4.5
|
50.3
|
0.2
|
|
CA
|
B:HIS156
|
4.5
|
11.6
|
1.0
|
|
CB
|
B:ALA155
|
4.5
|
14.1
|
1.0
|
|
CB
|
B:ASP154
|
4.6
|
11.8
|
1.0
|
|
OD2
|
B:ASP158
|
4.6
|
16.9
|
1.0
|
|
O
|
B:HOH613
|
4.6
|
13.2
|
1.0
|
|
CA
|
B:ALA155
|
4.7
|
16.1
|
1.0
|
|
C
|
B:ALA155
|
4.8
|
14.9
|
1.0
|
|
OD1
|
B:ASP158
|
4.8
|
16.5
|
1.0
|
|
CA
|
B:ASP154
|
4.9
|
11.8
|
1.0
|
|
C
|
B:ASP154
|
5.0
|
17.5
|
1.0
|
|
Manganese binding site 5 out
of 8 in 4q3t
Go back to
Manganese Binding Sites List in 4q3t
Manganese binding site 5 out
of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn401
b:21.9
occ:1.00
|
OH1
|
C:HAR405
|
1.9
|
27.3
|
0.5
|
|
OH1
|
C:HAR405
|
2.0
|
27.5
|
0.5
|
|
OD2
|
C:ASP154
|
2.0
|
16.4
|
1.0
|
|
OD1
|
C:ASP158
|
2.1
|
23.7
|
1.0
|
|
OD2
|
C:ASP262
|
2.2
|
24.0
|
1.0
|
|
ND1
|
C:HIS131
|
2.3
|
19.3
|
1.0
|
|
NH1
|
C:HAR405
|
2.7
|
34.0
|
0.5
|
|
NH1
|
C:HAR405
|
2.8
|
22.9
|
0.5
|
|
NH2
|
C:HAR405
|
2.8
|
28.9
|
0.5
|
|
CG
|
C:ASP158
|
3.0
|
25.1
|
1.0
|
|
CG
|
C:ASP154
|
3.1
|
23.6
|
1.0
|
|
CZ
|
C:HAR405
|
3.1
|
32.7
|
0.5
|
|
CG
|
C:HIS131
|
3.2
|
20.7
|
1.0
|
|
CG
|
C:ASP262
|
3.2
|
23.7
|
1.0
|
|
CE1
|
C:HIS131
|
3.3
|
22.9
|
1.0
|
|
OD2
|
C:ASP158
|
3.3
|
30.6
|
1.0
|
|
MN
|
C:MN402
|
3.3
|
25.4
|
1.0
|
|
OD1
|
C:ASP154
|
3.5
|
16.4
|
1.0
|
|
CB
|
C:HIS131
|
3.5
|
19.9
|
1.0
|
|
CB
|
C:ASP262
|
3.6
|
21.5
|
1.0
|
|
CZ
|
C:HAR405
|
3.8
|
30.1
|
0.5
|
|
NH2
|
C:HAR405
|
4.2
|
25.7
|
0.5
|
|
OD1
|
C:ASP262
|
4.3
|
24.6
|
1.0
|
|
NE2
|
C:HIS131
|
4.3
|
20.0
|
1.0
|
|
CD2
|
C:HIS131
|
4.3
|
21.6
|
1.0
|
|
CB
|
C:ASP158
|
4.4
|
22.8
|
1.0
|
|
CB
|
C:ASP154
|
4.4
|
14.8
|
1.0
|
|
NE1
|
C:TRP152
|
4.4
|
20.2
|
1.0
|
|
CZ2
|
C:TRP152
|
4.5
|
19.9
|
1.0
|
|
NE
|
C:HAR405
|
4.5
|
28.8
|
0.5
|
|
O
|
C:HIS171
|
4.5
|
25.6
|
1.0
|
|
CG
|
C:GLU307
|
4.6
|
18.7
|
1.0
|
|
NE
|
C:HAR405
|
4.8
|
29.9
|
0.5
|
|
CE2
|
C:TRP152
|
4.8
|
21.1
|
1.0
|
|
OD1
|
C:ASP264
|
4.8
|
24.0
|
1.0
|
|
CA
|
C:ASP262
|
4.9
|
23.5
|
1.0
|
|
CD
|
C:HAR405
|
4.9
|
30.3
|
0.5
|
|
OE2
|
C:GLU307
|
4.9
|
25.5
|
1.0
|
|
CA
|
C:HIS131
|
5.0
|
18.1
|
1.0
|
|
Manganese binding site 6 out
of 8 in 4q3t
Go back to
Manganese Binding Sites List in 4q3t
Manganese binding site 6 out
of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn402
b:25.4
occ:1.00
|
OH1
|
C:HAR405
|
1.8
|
27.3
|
0.5
|
|
OD1
|
C:ASP154
|
2.1
|
16.4
|
1.0
|
|
OD1
|
C:ASP264
|
2.2
|
24.0
|
1.0
|
|
ND1
|
C:HIS156
|
2.3
|
21.8
|
1.0
|
|
OD2
|
C:ASP264
|
2.3
|
23.2
|
1.0
|
|
OD2
|
C:ASP262
|
2.4
|
24.0
|
1.0
|
|
NH1
|
C:HAR405
|
2.5
|
22.9
|
0.5
|
|
CG
|
C:ASP264
|
2.6
|
21.9
|
1.0
|
|
CG
|
C:ASP154
|
3.0
|
23.6
|
1.0
|
|
CE1
|
C:HIS156
|
3.1
|
30.6
|
1.0
|
|
CG
|
C:ASP262
|
3.1
|
23.7
|
1.0
|
|
MN
|
C:MN401
|
3.3
|
21.9
|
1.0
|
|
OD2
|
C:ASP154
|
3.3
|
16.4
|
1.0
|
|
CG
|
C:HIS156
|
3.4
|
20.5
|
1.0
|
|
CZ
|
C:HAR405
|
3.4
|
30.1
|
0.5
|
|
NH2
|
C:HAR405
|
3.5
|
25.7
|
0.5
|
|
CZ
|
C:HAR405
|
3.6
|
32.7
|
0.5
|
|
NH1
|
C:HAR405
|
3.6
|
34.0
|
0.5
|
|
OD1
|
C:ASP262
|
3.7
|
24.6
|
1.0
|
|
CB
|
C:HIS156
|
3.7
|
23.2
|
1.0
|
|
NE
|
C:HAR405
|
3.9
|
29.9
|
0.5
|
|
OH1
|
C:HAR405
|
3.9
|
27.5
|
0.5
|
|
N
|
C:HIS156
|
4.0
|
23.5
|
1.0
|
|
CB
|
C:ASP262
|
4.0
|
21.5
|
1.0
|
|
CB
|
C:ASP264
|
4.1
|
19.2
|
1.0
|
|
N
|
C:ALA155
|
4.2
|
23.5
|
1.0
|
|
OG1
|
C:THR276
|
4.2
|
29.9
|
1.0
|
|
NH2
|
C:HAR405
|
4.2
|
28.9
|
0.5
|
|
NE2
|
C:HIS156
|
4.3
|
25.8
|
1.0
|
|
CD2
|
C:HIS156
|
4.4
|
26.9
|
1.0
|
|
CB
|
C:ASP154
|
4.4
|
14.8
|
1.0
|
|
CA
|
C:HIS156
|
4.5
|
19.3
|
1.0
|
|
CD
|
C:HAR405
|
4.5
|
30.3
|
0.5
|
|
NE
|
C:HAR405
|
4.6
|
28.8
|
0.5
|
|
OD2
|
C:ASP158
|
4.6
|
30.6
|
1.0
|
|
CD
|
C:HAR405
|
4.6
|
31.2
|
0.5
|
|
CB
|
C:ALA155
|
4.7
|
19.9
|
1.0
|
|
O
|
C:HOH551
|
4.7
|
27.1
|
1.0
|
|
C
|
C:ALA155
|
4.8
|
24.2
|
1.0
|
|
CA
|
C:ALA155
|
4.8
|
18.0
|
1.0
|
|
CA
|
C:ASP154
|
4.8
|
20.4
|
1.0
|
|
OD1
|
C:ASP158
|
4.9
|
23.7
|
1.0
|
|
C
|
C:ASP154
|
4.9
|
15.8
|
1.0
|
|
Manganese binding site 7 out
of 8 in 4q3t
Go back to
Manganese Binding Sites List in 4q3t
Manganese binding site 7 out
of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn402
b:39.0
occ:1.00
|
OH1
|
D:HAR401
|
2.0
|
41.9
|
0.8
|
|
OD1
|
D:ASP158
|
2.2
|
35.6
|
1.0
|
|
ND1
|
D:HIS131
|
2.3
|
40.6
|
1.0
|
|
OD2
|
D:ASP262
|
2.3
|
39.0
|
1.0
|
|
OD2
|
D:ASP154
|
2.4
|
36.6
|
1.0
|
|
NH1
|
D:HAR401
|
3.0
|
49.1
|
0.8
|
|
CG
|
D:ASP158
|
3.0
|
43.7
|
1.0
|
|
CG
|
D:HIS131
|
3.2
|
42.7
|
1.0
|
|
OD2
|
D:ASP158
|
3.2
|
44.9
|
1.0
|
|
CE1
|
D:HIS131
|
3.3
|
35.9
|
1.0
|
|
MN
|
D:MN403
|
3.3
|
43.0
|
1.0
|
|
CG
|
D:ASP262
|
3.3
|
43.5
|
1.0
|
|
CG
|
D:ASP154
|
3.3
|
39.0
|
1.0
|
|
NH2
|
D:HAR401
|
3.3
|
48.2
|
0.8
|
|
CB
|
D:HIS131
|
3.4
|
37.8
|
1.0
|
|
OD1
|
D:ASP154
|
3.5
|
36.6
|
1.0
|
|
CZ
|
D:HAR401
|
3.6
|
49.2
|
0.8
|
|
CB
|
D:ASP262
|
3.6
|
40.8
|
1.0
|
|
CD2
|
D:HIS131
|
4.3
|
42.8
|
1.0
|
|
NE2
|
D:HIS131
|
4.3
|
44.4
|
1.0
|
|
OD1
|
D:ASP262
|
4.4
|
36.2
|
1.0
|
|
CB
|
D:ASP158
|
4.4
|
35.3
|
1.0
|
|
CZ2
|
D:TRP152
|
4.5
|
37.1
|
1.0
|
|
O
|
D:HIS171
|
4.5
|
44.8
|
1.0
|
|
CG
|
D:GLU307
|
4.5
|
41.7
|
1.0
|
|
NE1
|
D:TRP152
|
4.5
|
42.3
|
1.0
|
|
CB
|
D:ASP154
|
4.7
|
41.7
|
1.0
|
|
OD1
|
D:ASP264
|
4.8
|
41.0
|
1.0
|
|
CE2
|
D:TRP152
|
4.9
|
45.6
|
1.0
|
|
OE2
|
D:GLU307
|
4.9
|
38.7
|
1.0
|
|
CA
|
D:HIS131
|
4.9
|
47.2
|
1.0
|
|
NE
|
D:HAR401
|
4.9
|
49.7
|
0.8
|
|
CA
|
D:ASP262
|
5.0
|
41.3
|
1.0
|
|
OD2
|
D:ASP264
|
5.0
|
41.8
|
1.0
|
|
Manganese binding site 8 out
of 8 in 4q3t
Go back to
Manganese Binding Sites List in 4q3t
Manganese binding site 8 out
of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Noha within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn403
b:43.0
occ:1.00
|
OH1
|
D:HAR401
|
1.9
|
41.9
|
0.8
|
|
OD1
|
D:ASP154
|
2.3
|
36.6
|
1.0
|
|
OD1
|
D:ASP264
|
2.3
|
41.0
|
1.0
|
|
OD2
|
D:ASP264
|
2.4
|
41.8
|
1.0
|
|
OD2
|
D:ASP262
|
2.4
|
39.0
|
1.0
|
|
ND1
|
D:HIS156
|
2.4
|
43.8
|
1.0
|
|
NH1
|
D:HAR401
|
2.6
|
49.1
|
0.8
|
|
CG
|
D:ASP264
|
2.7
|
41.8
|
1.0
|
|
CE1
|
D:HIS156
|
3.2
|
41.1
|
1.0
|
|
CG
|
D:ASP262
|
3.2
|
43.5
|
1.0
|
|
MN
|
D:MN402
|
3.3
|
39.0
|
1.0
|
|
CG
|
D:ASP154
|
3.3
|
39.0
|
1.0
|
|
CG
|
D:HIS156
|
3.5
|
44.4
|
1.0
|
|
OD2
|
D:ASP154
|
3.6
|
36.6
|
1.0
|
|
CZ
|
D:HAR401
|
3.7
|
49.2
|
0.8
|
|
OD1
|
D:ASP262
|
3.9
|
36.2
|
1.0
|
|
CB
|
D:HIS156
|
3.9
|
40.2
|
1.0
|
|
N
|
D:HIS156
|
3.9
|
41.1
|
1.0
|
|
NH2
|
D:HAR401
|
4.1
|
48.2
|
0.8
|
|
CB
|
D:ASP262
|
4.1
|
40.8
|
1.0
|
|
OG1
|
D:THR276
|
4.2
|
43.7
|
1.0
|
|
CB
|
D:ASP264
|
4.2
|
35.5
|
1.0
|
|
N
|
D:ALA155
|
4.2
|
37.8
|
1.0
|
|
NE2
|
D:HIS156
|
4.4
|
49.2
|
1.0
|
|
OD2
|
D:ASP158
|
4.5
|
44.9
|
1.0
|
|
CA
|
D:HIS156
|
4.5
|
46.7
|
1.0
|
|
CD2
|
D:HIS156
|
4.5
|
39.5
|
1.0
|
|
CB
|
D:ALA155
|
4.5
|
39.9
|
1.0
|
|
CB
|
D:ASP154
|
4.6
|
41.7
|
1.0
|
|
NE
|
D:HAR401
|
4.7
|
49.7
|
0.8
|
|
C
|
D:ALA155
|
4.7
|
42.7
|
1.0
|
|
CA
|
D:ALA155
|
4.7
|
41.6
|
1.0
|
|
OD1
|
D:ASP158
|
4.9
|
35.6
|
1.0
|
|
O
|
D:HOH538
|
5.0
|
34.1
|
1.0
|
|
O
|
D:THR276
|
5.0
|
42.7
|
1.0
|
|
Reference:
Y.Hai,
J.E.Edwards,
M.C.Van Zandt,
K.F.Hoffmann,
D.W.Christianson.
Crystal Structure of Schistosoma Mansoni Arginase, A Potential Drug Target For the Treatment of Schistosomiasis. Biochemistry V. 53 4671 2014.
ISSN: ISSN 0006-2960
PubMed: 25007099
DOI: 10.1021/BI5004519
Page generated: Sat Oct 5 20:53:44 2024
|
