Manganese in PDB 7k4h: Human Arginase 1 in Complex with Compound 04.
Enzymatic activity of Human Arginase 1 in Complex with Compound 04.
All present enzymatic activity of Human Arginase 1 in Complex with Compound 04.:
3.5.3.1;
Protein crystallography data
The structure of Human Arginase 1 in Complex with Compound 04., PDB code: 7k4h
was solved by
R.L.Palte,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
48.88 /
1.65
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
53.14,
286.09,
66.952,
90,
90.12,
90
|
|
R / Rfree (%)
|
21 /
23.5
|
Manganese Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Manganese atom in the Human Arginase 1 in Complex with Compound 04.
(pdb code 7k4h). This binding sites where shown within
5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the
Human Arginase 1 in Complex with Compound 04., PDB code: 7k4h:
Jump to Manganese binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Manganese binding site 1 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 1 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 1 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn401
b:3.1
occ:1.00
|
OD2
|
A:ASP124
|
2.1
|
9.1
|
1.0
|
|
OD2
|
A:ASP232
|
2.1
|
9.8
|
1.0
|
|
OD2
|
A:ASP128
|
2.1
|
6.1
|
1.0
|
|
O4
|
A:VV4403
|
2.2
|
5.4
|
1.0
|
|
ND1
|
A:HIS101
|
2.2
|
9.3
|
1.0
|
|
O3
|
A:VV4403
|
2.3
|
4.8
|
1.0
|
|
B
|
A:VV4403
|
2.8
|
5.2
|
1.0
|
|
CG
|
A:ASP124
|
3.1
|
7.4
|
1.0
|
|
CG
|
A:HIS101
|
3.1
|
7.6
|
1.0
|
|
CG
|
A:ASP128
|
3.1
|
6.7
|
1.0
|
|
CG
|
A:ASP232
|
3.2
|
7.3
|
1.0
|
|
CE1
|
A:HIS101
|
3.2
|
8.7
|
1.0
|
|
MN
|
A:MN402
|
3.3
|
3.1
|
1.0
|
|
CB
|
A:HIS101
|
3.3
|
4.2
|
1.0
|
|
OD1
|
A:ASP128
|
3.4
|
6.3
|
1.0
|
|
OD1
|
A:ASP124
|
3.5
|
7.0
|
1.0
|
|
CB
|
A:ASP232
|
3.6
|
4.3
|
1.0
|
|
O2
|
A:VV4403
|
3.7
|
5.1
|
1.0
|
|
C9
|
A:VV4403
|
4.0
|
5.8
|
1.0
|
|
CD2
|
A:HIS101
|
4.3
|
9.2
|
1.0
|
|
OD1
|
A:ASP232
|
4.3
|
5.0
|
1.0
|
|
NE2
|
A:HIS101
|
4.3
|
9.0
|
1.0
|
|
O
|
A:HIS141
|
4.4
|
5.4
|
1.0
|
|
CB
|
A:ASP124
|
4.4
|
4.3
|
1.0
|
|
NE1
|
A:TRP122
|
4.4
|
5.7
|
1.0
|
|
CB
|
A:ASP128
|
4.5
|
4.2
|
1.0
|
|
CZ2
|
A:TRP122
|
4.6
|
6.2
|
1.0
|
|
CG
|
A:GLU277
|
4.6
|
9.8
|
1.0
|
|
OE2
|
A:GLU277
|
4.7
|
10.9
|
1.0
|
|
CA
|
A:HIS101
|
4.8
|
3.4
|
1.0
|
|
CE2
|
A:TRP122
|
4.9
|
7.0
|
1.0
|
|
OD1
|
A:ASP234
|
4.9
|
4.5
|
1.0
|
|
ND1
|
A:HIS126
|
4.9
|
8.2
|
1.0
|
|
OD2
|
A:ASP234
|
5.0
|
11.1
|
1.0
|
|
Manganese binding site 2 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 2 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 2 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mn402
b:3.1
occ:1.00
|
O3
|
A:VV4403
|
2.0
|
4.8
|
1.0
|
|
OD1
|
A:ASP124
|
2.2
|
7.0
|
1.0
|
|
OD2
|
A:ASP234
|
2.2
|
11.1
|
1.0
|
|
ND1
|
A:HIS126
|
2.2
|
8.2
|
1.0
|
|
OD1
|
A:ASP234
|
2.3
|
4.5
|
1.0
|
|
OD2
|
A:ASP232
|
2.4
|
9.8
|
1.0
|
|
O2
|
A:VV4403
|
2.5
|
5.1
|
1.0
|
|
CG
|
A:ASP234
|
2.6
|
6.5
|
1.0
|
|
B
|
A:VV4403
|
2.8
|
5.2
|
1.0
|
|
CE1
|
A:HIS126
|
3.0
|
7.5
|
1.0
|
|
CG
|
A:ASP124
|
3.1
|
7.4
|
1.0
|
|
CG
|
A:ASP232
|
3.1
|
7.3
|
1.0
|
|
MN
|
A:MN401
|
3.3
|
3.1
|
1.0
|
|
OD2
|
A:ASP124
|
3.4
|
9.1
|
1.0
|
|
CG
|
A:HIS126
|
3.4
|
6.7
|
1.0
|
|
O4
|
A:VV4403
|
3.6
|
5.4
|
1.0
|
|
OD1
|
A:ASP232
|
3.6
|
5.0
|
1.0
|
|
CB
|
A:HIS126
|
3.9
|
3.7
|
1.0
|
|
OG1
|
A:THR246
|
4.0
|
7.6
|
1.0
|
|
CB
|
A:ASP234
|
4.1
|
4.1
|
1.0
|
|
C9
|
A:VV4403
|
4.1
|
5.8
|
1.0
|
|
CB
|
A:ASP232
|
4.2
|
4.3
|
1.0
|
|
N
|
A:HIS126
|
4.2
|
3.0
|
1.0
|
|
NE2
|
A:HIS126
|
4.3
|
7.8
|
1.0
|
|
C8
|
A:VV4403
|
4.3
|
6.0
|
1.0
|
|
N
|
A:ALA125
|
4.3
|
3.7
|
1.0
|
|
CD2
|
A:HIS126
|
4.4
|
8.1
|
1.0
|
|
CB
|
A:ASP124
|
4.5
|
4.3
|
1.0
|
|
OD1
|
A:ASP128
|
4.5
|
6.3
|
1.0
|
|
O
|
A:HOH502
|
4.6
|
3.0
|
1.0
|
|
CA
|
A:HIS126
|
4.7
|
3.0
|
1.0
|
|
CB
|
A:ALA125
|
4.7
|
4.2
|
1.0
|
|
OD2
|
A:ASP128
|
4.8
|
6.1
|
1.0
|
|
CA
|
A:ALA125
|
4.9
|
3.4
|
1.0
|
|
CA
|
A:ASP124
|
4.9
|
3.0
|
1.0
|
|
C
|
A:ALA125
|
5.0
|
6.6
|
1.0
|
|
O
|
A:THR246
|
5.0
|
5.7
|
1.0
|
|
Manganese binding site 3 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 3 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 3 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn401
b:3.0
occ:1.00
|
OD2
|
B:ASP124
|
2.1
|
12.3
|
1.0
|
|
OD2
|
B:ASP232
|
2.2
|
11.7
|
1.0
|
|
OD2
|
B:ASP128
|
2.2
|
14.2
|
1.0
|
|
ND1
|
B:HIS101
|
2.2
|
8.1
|
1.0
|
|
O3
|
B:VV4403
|
2.3
|
5.6
|
1.0
|
|
O4
|
B:VV4403
|
2.4
|
7.4
|
1.0
|
|
B
|
B:VV4403
|
2.9
|
6.2
|
1.0
|
|
CG
|
B:ASP124
|
3.1
|
8.9
|
1.0
|
|
CG
|
B:HIS101
|
3.1
|
6.6
|
1.0
|
|
CG
|
B:ASP128
|
3.1
|
9.5
|
1.0
|
|
CG
|
B:ASP232
|
3.2
|
9.3
|
1.0
|
|
CE1
|
B:HIS101
|
3.2
|
7.6
|
1.0
|
|
MN
|
B:MN402
|
3.3
|
5.3
|
1.0
|
|
CB
|
B:HIS101
|
3.4
|
3.4
|
1.0
|
|
OD1
|
B:ASP128
|
3.4
|
8.6
|
1.0
|
|
OD1
|
B:ASP124
|
3.5
|
7.9
|
1.0
|
|
CB
|
B:ASP232
|
3.6
|
4.4
|
1.0
|
|
O2
|
B:VV4403
|
3.8
|
5.1
|
1.0
|
|
C9
|
B:VV4403
|
4.1
|
6.0
|
1.0
|
|
CD2
|
B:HIS101
|
4.3
|
8.3
|
1.0
|
|
NE2
|
B:HIS101
|
4.3
|
8.0
|
1.0
|
|
OD1
|
B:ASP232
|
4.3
|
8.9
|
1.0
|
|
O
|
B:HIS141
|
4.4
|
6.2
|
1.0
|
|
CB
|
B:ASP124
|
4.4
|
4.2
|
1.0
|
|
NE1
|
B:TRP122
|
4.4
|
5.5
|
1.0
|
|
CB
|
B:ASP128
|
4.5
|
4.4
|
1.0
|
|
CZ2
|
B:TRP122
|
4.5
|
6.1
|
1.0
|
|
CG
|
B:GLU277
|
4.7
|
11.7
|
1.0
|
|
OE2
|
B:GLU277
|
4.7
|
9.7
|
1.0
|
|
CE2
|
B:TRP122
|
4.8
|
6.9
|
1.0
|
|
CA
|
B:HIS101
|
4.9
|
3.0
|
1.0
|
|
CA
|
B:ASP232
|
5.0
|
3.0
|
1.0
|
|
OD2
|
B:ASP234
|
5.0
|
12.2
|
1.0
|
|
ND1
|
B:HIS126
|
5.0
|
7.5
|
1.0
|
|
Manganese binding site 4 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 4 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 4 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mn402
b:5.3
occ:1.00
|
O3
|
B:VV4403
|
2.1
|
5.6
|
1.0
|
|
OD1
|
B:ASP124
|
2.2
|
7.9
|
1.0
|
|
OD2
|
B:ASP234
|
2.2
|
12.2
|
1.0
|
|
ND1
|
B:HIS126
|
2.3
|
7.5
|
1.0
|
|
OD1
|
B:ASP234
|
2.3
|
7.4
|
1.0
|
|
OD2
|
B:ASP232
|
2.3
|
11.7
|
1.0
|
|
CG
|
B:ASP234
|
2.5
|
8.4
|
1.0
|
|
O2
|
B:VV4403
|
2.7
|
5.1
|
1.0
|
|
B
|
B:VV4403
|
2.9
|
6.2
|
1.0
|
|
CG
|
B:ASP124
|
3.1
|
8.9
|
1.0
|
|
CG
|
B:ASP232
|
3.1
|
9.3
|
1.0
|
|
CE1
|
B:HIS126
|
3.1
|
6.8
|
1.0
|
|
MN
|
B:MN401
|
3.3
|
3.0
|
1.0
|
|
OD2
|
B:ASP124
|
3.3
|
12.3
|
1.0
|
|
CG
|
B:HIS126
|
3.4
|
6.0
|
1.0
|
|
OD1
|
B:ASP232
|
3.6
|
8.9
|
1.0
|
|
O4
|
B:VV4403
|
3.7
|
7.4
|
1.0
|
|
CB
|
B:HIS126
|
3.8
|
3.1
|
1.0
|
|
OG1
|
B:THR246
|
4.0
|
8.7
|
1.0
|
|
CB
|
B:ASP234
|
4.1
|
4.4
|
1.0
|
|
CB
|
B:ASP232
|
4.1
|
4.4
|
1.0
|
|
N
|
B:HIS126
|
4.1
|
3.3
|
1.0
|
|
C9
|
B:VV4403
|
4.2
|
6.0
|
1.0
|
|
N
|
B:ALA125
|
4.3
|
3.0
|
1.0
|
|
NE2
|
B:HIS126
|
4.3
|
6.9
|
1.0
|
|
C8
|
B:VV4403
|
4.4
|
5.5
|
1.0
|
|
CB
|
B:ASP124
|
4.4
|
4.2
|
1.0
|
|
CD2
|
B:HIS126
|
4.5
|
7.3
|
1.0
|
|
OD1
|
B:ASP128
|
4.5
|
8.6
|
1.0
|
|
CA
|
B:HIS126
|
4.6
|
3.0
|
1.0
|
|
O
|
B:HOH522
|
4.6
|
4.9
|
1.0
|
|
CB
|
B:ALA125
|
4.7
|
3.7
|
1.0
|
|
OD2
|
B:ASP128
|
4.9
|
14.2
|
1.0
|
|
CA
|
B:ASP124
|
4.9
|
3.0
|
1.0
|
|
C
|
B:ALA125
|
4.9
|
6.7
|
1.0
|
|
CA
|
B:ALA125
|
4.9
|
3.0
|
1.0
|
|
Manganese binding site 5 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 5 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 5 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn401
b:3.2
occ:1.00
|
OD2
|
C:ASP124
|
2.1
|
12.5
|
1.0
|
|
OD2
|
C:ASP232
|
2.2
|
8.0
|
1.0
|
|
OD2
|
C:ASP128
|
2.2
|
6.5
|
1.0
|
|
ND1
|
C:HIS101
|
2.2
|
8.1
|
1.0
|
|
O4
|
C:VV4403
|
2.3
|
7.0
|
1.0
|
|
O3
|
C:VV4403
|
2.4
|
7.7
|
1.0
|
|
B
|
C:VV4403
|
2.9
|
6.6
|
1.0
|
|
CG
|
C:ASP124
|
3.1
|
9.8
|
1.0
|
|
CG
|
C:HIS101
|
3.1
|
6.6
|
1.0
|
|
CG
|
C:ASP128
|
3.2
|
6.9
|
1.0
|
|
CG
|
C:ASP232
|
3.2
|
6.6
|
1.0
|
|
CE1
|
C:HIS101
|
3.2
|
7.4
|
1.0
|
|
MN
|
C:MN402
|
3.3
|
3.7
|
1.0
|
|
CB
|
C:HIS101
|
3.3
|
3.5
|
1.0
|
|
OD1
|
C:ASP124
|
3.4
|
9.5
|
1.0
|
|
OD1
|
C:ASP128
|
3.5
|
6.8
|
1.0
|
|
CB
|
C:ASP232
|
3.6
|
4.0
|
1.0
|
|
O2
|
C:VV4403
|
3.8
|
4.4
|
1.0
|
|
C9
|
C:VV4403
|
4.1
|
6.2
|
1.0
|
|
CD2
|
C:HIS101
|
4.3
|
8.0
|
1.0
|
|
NE2
|
C:HIS101
|
4.3
|
7.7
|
1.0
|
|
OD1
|
C:ASP232
|
4.3
|
5.4
|
1.0
|
|
O
|
C:HIS141
|
4.4
|
7.0
|
1.0
|
|
CB
|
C:ASP124
|
4.4
|
4.5
|
1.0
|
|
NE1
|
C:TRP122
|
4.4
|
5.5
|
1.0
|
|
CB
|
C:ASP128
|
4.5
|
4.3
|
1.0
|
|
CZ2
|
C:TRP122
|
4.6
|
6.1
|
1.0
|
|
CG
|
C:GLU277
|
4.7
|
9.8
|
1.0
|
|
OE2
|
C:GLU277
|
4.7
|
3.0
|
1.0
|
|
CE2
|
C:TRP122
|
4.8
|
6.8
|
1.0
|
|
CA
|
C:HIS101
|
4.8
|
3.0
|
1.0
|
|
ND1
|
C:HIS126
|
4.9
|
8.2
|
1.0
|
|
OD1
|
C:ASP234
|
5.0
|
8.8
|
1.0
|
|
Manganese binding site 6 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 6 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 6 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Mn402
b:3.7
occ:1.00
|
O3
|
C:VV4403
|
2.1
|
7.7
|
1.0
|
|
OD2
|
C:ASP234
|
2.2
|
10.8
|
1.0
|
|
OD1
|
C:ASP124
|
2.2
|
9.5
|
1.0
|
|
OD1
|
C:ASP234
|
2.2
|
8.8
|
1.0
|
|
ND1
|
C:HIS126
|
2.2
|
8.2
|
1.0
|
|
OD2
|
C:ASP232
|
2.4
|
8.0
|
1.0
|
|
CG
|
C:ASP234
|
2.5
|
9.0
|
1.0
|
|
O2
|
C:VV4403
|
2.6
|
4.4
|
1.0
|
|
B
|
C:VV4403
|
2.9
|
6.6
|
1.0
|
|
CE1
|
C:HIS126
|
3.0
|
7.6
|
1.0
|
|
CG
|
C:ASP124
|
3.1
|
9.8
|
1.0
|
|
CG
|
C:ASP232
|
3.1
|
6.6
|
1.0
|
|
MN
|
C:MN401
|
3.3
|
3.2
|
1.0
|
|
CG
|
C:HIS126
|
3.4
|
6.7
|
1.0
|
|
OD2
|
C:ASP124
|
3.4
|
12.5
|
1.0
|
|
OD1
|
C:ASP232
|
3.6
|
5.4
|
1.0
|
|
O4
|
C:VV4403
|
3.7
|
7.0
|
1.0
|
|
CB
|
C:HIS126
|
3.9
|
3.5
|
1.0
|
|
OG1
|
C:THR246
|
4.0
|
7.1
|
1.0
|
|
CB
|
C:ASP234
|
4.0
|
4.2
|
1.0
|
|
N
|
C:HIS126
|
4.2
|
3.2
|
1.0
|
|
CB
|
C:ASP232
|
4.2
|
4.0
|
1.0
|
|
C9
|
C:VV4403
|
4.2
|
6.2
|
1.0
|
|
NE2
|
C:HIS126
|
4.3
|
7.9
|
1.0
|
|
N
|
C:ALA125
|
4.3
|
3.4
|
1.0
|
|
C8
|
C:VV4403
|
4.4
|
5.3
|
1.0
|
|
CD2
|
C:HIS126
|
4.5
|
8.1
|
1.0
|
|
CB
|
C:ASP124
|
4.5
|
4.5
|
1.0
|
|
O
|
C:HOH505
|
4.5
|
6.2
|
1.0
|
|
OD1
|
C:ASP128
|
4.6
|
6.8
|
1.0
|
|
CA
|
C:HIS126
|
4.7
|
3.0
|
1.0
|
|
CB
|
C:ALA125
|
4.7
|
3.6
|
1.0
|
|
OD2
|
C:ASP128
|
4.8
|
6.5
|
1.0
|
|
CA
|
C:ALA125
|
4.9
|
3.0
|
1.0
|
|
CA
|
C:ASP124
|
4.9
|
3.0
|
1.0
|
|
C
|
C:ALA125
|
5.0
|
6.5
|
1.0
|
|
CA
|
C:ASP234
|
5.0
|
3.0
|
1.0
|
|
O
|
C:THR246
|
5.0
|
6.4
|
1.0
|
|
Manganese binding site 7 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 7 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 7 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn401
b:4.3
occ:1.00
|
OD2
|
D:ASP124
|
2.0
|
12.2
|
1.0
|
|
OD2
|
D:ASP232
|
2.2
|
11.1
|
1.0
|
|
OD2
|
D:ASP128
|
2.2
|
10.4
|
1.0
|
|
O3
|
D:VV4403
|
2.2
|
3.0
|
1.0
|
|
ND1
|
D:HIS101
|
2.2
|
8.0
|
1.0
|
|
O4
|
D:VV4403
|
2.3
|
5.9
|
1.0
|
|
B
|
D:VV4403
|
2.9
|
5.1
|
1.0
|
|
CG
|
D:ASP124
|
3.1
|
9.8
|
1.0
|
|
CG
|
D:ASP128
|
3.1
|
7.0
|
1.0
|
|
CG
|
D:HIS101
|
3.1
|
6.5
|
1.0
|
|
CG
|
D:ASP232
|
3.2
|
8.3
|
1.0
|
|
CE1
|
D:HIS101
|
3.2
|
7.4
|
1.0
|
|
MN
|
D:MN402
|
3.3
|
6.3
|
1.0
|
|
CB
|
D:HIS101
|
3.3
|
3.4
|
1.0
|
|
OD1
|
D:ASP128
|
3.4
|
6.0
|
1.0
|
|
OD1
|
D:ASP124
|
3.5
|
9.8
|
1.0
|
|
CB
|
D:ASP232
|
3.6
|
4.5
|
1.0
|
|
O2
|
D:VV4403
|
3.8
|
4.4
|
1.0
|
|
C9
|
D:VV4403
|
4.0
|
5.9
|
1.0
|
|
O
|
D:HIS141
|
4.3
|
7.4
|
1.0
|
|
CD2
|
D:HIS101
|
4.3
|
8.1
|
1.0
|
|
OD1
|
D:ASP232
|
4.3
|
7.6
|
1.0
|
|
CB
|
D:ASP124
|
4.3
|
4.5
|
1.0
|
|
NE2
|
D:HIS101
|
4.3
|
7.8
|
1.0
|
|
NE1
|
D:TRP122
|
4.4
|
5.9
|
1.0
|
|
CB
|
D:ASP128
|
4.5
|
4.1
|
1.0
|
|
CZ2
|
D:TRP122
|
4.6
|
6.6
|
1.0
|
|
CG
|
D:GLU277
|
4.7
|
10.5
|
1.0
|
|
OE2
|
D:GLU277
|
4.7
|
6.1
|
1.0
|
|
CE2
|
D:TRP122
|
4.8
|
7.3
|
1.0
|
|
CA
|
D:HIS101
|
4.9
|
3.0
|
1.0
|
|
ND1
|
D:HIS126
|
5.0
|
8.6
|
1.0
|
|
CA
|
D:ASP232
|
5.0
|
3.0
|
1.0
|
|
Manganese binding site 8 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 8 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 8 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Mn402
b:6.3
occ:1.00
|
OD1
|
D:ASP124
|
2.1
|
9.8
|
1.0
|
|
O3
|
D:VV4403
|
2.1
|
3.0
|
1.0
|
|
OD2
|
D:ASP234
|
2.2
|
13.8
|
1.0
|
|
OD1
|
D:ASP234
|
2.2
|
9.5
|
1.0
|
|
ND1
|
D:HIS126
|
2.2
|
8.6
|
1.0
|
|
OD2
|
D:ASP232
|
2.4
|
11.1
|
1.0
|
|
CG
|
D:ASP234
|
2.5
|
9.3
|
1.0
|
|
O2
|
D:VV4403
|
2.6
|
4.4
|
1.0
|
|
B
|
D:VV4403
|
2.9
|
5.1
|
1.0
|
|
CG
|
D:ASP124
|
3.0
|
9.8
|
1.0
|
|
CE1
|
D:HIS126
|
3.1
|
7.9
|
1.0
|
|
CG
|
D:ASP232
|
3.1
|
8.3
|
1.0
|
|
OD2
|
D:ASP124
|
3.3
|
12.2
|
1.0
|
|
MN
|
D:MN401
|
3.3
|
4.3
|
1.0
|
|
CG
|
D:HIS126
|
3.4
|
6.8
|
1.0
|
|
OD1
|
D:ASP232
|
3.5
|
7.6
|
1.0
|
|
O4
|
D:VV4403
|
3.6
|
5.9
|
1.0
|
|
CB
|
D:HIS126
|
3.8
|
3.6
|
1.0
|
|
CB
|
D:ASP234
|
4.0
|
4.5
|
1.0
|
|
OG1
|
D:THR246
|
4.1
|
10.3
|
1.0
|
|
N
|
D:HIS126
|
4.1
|
3.3
|
1.0
|
|
CB
|
D:ASP232
|
4.2
|
4.5
|
1.0
|
|
C9
|
D:VV4403
|
4.2
|
5.9
|
1.0
|
|
N
|
D:ALA125
|
4.3
|
3.6
|
1.0
|
|
NE2
|
D:HIS126
|
4.3
|
8.2
|
1.0
|
|
CB
|
D:ASP124
|
4.3
|
4.5
|
1.0
|
|
C8
|
D:VV4403
|
4.4
|
6.3
|
1.0
|
|
CD2
|
D:HIS126
|
4.4
|
8.4
|
1.0
|
|
OD1
|
D:ASP128
|
4.5
|
6.0
|
1.0
|
|
CA
|
D:HIS126
|
4.6
|
3.0
|
1.0
|
|
O
|
D:HOH536
|
4.6
|
9.0
|
1.0
|
|
CB
|
D:ALA125
|
4.8
|
4.6
|
1.0
|
|
CA
|
D:ASP124
|
4.8
|
3.0
|
1.0
|
|
OD2
|
D:ASP128
|
4.9
|
10.4
|
1.0
|
|
CA
|
D:ALA125
|
4.9
|
3.7
|
1.0
|
|
C
|
D:ALA125
|
5.0
|
7.4
|
1.0
|
|
CA
|
D:ASP234
|
5.0
|
3.0
|
1.0
|
|
O
|
D:THR246
|
5.0
|
6.9
|
1.0
|
|
Manganese binding site 9 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 9 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 9 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn401
b:7.1
occ:1.00
|
OD2
|
E:ASP124
|
2.1
|
15.8
|
1.0
|
|
O4
|
E:VV4403
|
2.1
|
10.7
|
1.0
|
|
ND1
|
E:HIS101
|
2.1
|
12.1
|
1.0
|
|
OD2
|
E:ASP232
|
2.2
|
19.5
|
1.0
|
|
OD2
|
E:ASP128
|
2.2
|
11.3
|
1.0
|
|
O3
|
E:VV4403
|
2.4
|
10.3
|
1.0
|
|
B
|
E:VV4403
|
2.8
|
10.6
|
1.0
|
|
CG
|
E:HIS101
|
3.1
|
10.5
|
1.0
|
|
CG
|
E:ASP128
|
3.1
|
9.2
|
1.0
|
|
CG
|
E:ASP124
|
3.1
|
13.7
|
1.0
|
|
CE1
|
E:HIS101
|
3.2
|
11.4
|
1.0
|
|
CG
|
E:ASP232
|
3.2
|
14.1
|
1.0
|
|
MN
|
E:MN402
|
3.2
|
7.6
|
1.0
|
|
CB
|
E:HIS101
|
3.3
|
7.4
|
1.0
|
|
OD1
|
E:ASP128
|
3.3
|
8.9
|
1.0
|
|
OD1
|
E:ASP124
|
3.5
|
14.3
|
1.0
|
|
CB
|
E:ASP232
|
3.7
|
7.0
|
1.0
|
|
O2
|
E:VV4403
|
3.7
|
10.8
|
1.0
|
|
C9
|
E:VV4403
|
4.1
|
10.7
|
1.0
|
|
CD2
|
E:HIS101
|
4.2
|
12.0
|
1.0
|
|
O
|
E:HIS141
|
4.3
|
12.5
|
1.0
|
|
NE2
|
E:HIS101
|
4.3
|
11.8
|
1.0
|
|
OD1
|
E:ASP232
|
4.3
|
13.6
|
1.0
|
|
CB
|
E:ASP124
|
4.4
|
6.6
|
1.0
|
|
NE1
|
E:TRP122
|
4.5
|
7.1
|
1.0
|
|
CB
|
E:ASP128
|
4.5
|
5.8
|
1.0
|
|
CZ2
|
E:TRP122
|
4.6
|
7.7
|
1.0
|
|
CG
|
E:GLU277
|
4.7
|
20.7
|
1.0
|
|
CA
|
E:HIS101
|
4.8
|
6.8
|
1.0
|
|
OE2
|
E:GLU277
|
4.8
|
23.4
|
1.0
|
|
CE2
|
E:TRP122
|
4.9
|
8.4
|
1.0
|
|
OD2
|
E:ASP234
|
4.9
|
14.2
|
1.0
|
|
ND1
|
E:HIS126
|
4.9
|
7.7
|
1.0
|
|
Manganese binding site 10 out
of 12 in 7k4h
Go back to
Manganese Binding Sites List in 7k4h
Manganese binding site 10 out
of 12 in the Human Arginase 1 in Complex with Compound 04.
 Mono view
 Stereo pair view
|
|
A full contact list of Manganese with other atoms in the Mn binding
site number 10 of Human Arginase 1 in Complex with Compound 04. within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Mn402
b:7.6
occ:1.00
|
O3
|
E:VV4403
|
2.0
|
10.3
|
1.0
|
|
OD1
|
E:ASP124
|
2.2
|
14.3
|
1.0
|
|
OD2
|
E:ASP234
|
2.2
|
14.2
|
1.0
|
|
ND1
|
E:HIS126
|
2.3
|
7.7
|
1.0
|
|
OD2
|
E:ASP232
|
2.3
|
19.5
|
1.0
|
|
OD1
|
E:ASP234
|
2.3
|
10.4
|
1.0
|
|
CG
|
E:ASP234
|
2.6
|
10.5
|
1.0
|
|
O2
|
E:VV4403
|
2.7
|
10.8
|
1.0
|
|
B
|
E:VV4403
|
2.9
|
10.6
|
1.0
|
|
CE1
|
E:HIS126
|
3.1
|
6.8
|
1.0
|
|
CG
|
E:ASP124
|
3.1
|
13.7
|
1.0
|
|
CG
|
E:ASP232
|
3.1
|
14.1
|
1.0
|
|
MN
|
E:MN401
|
3.2
|
7.1
|
1.0
|
|
OD2
|
E:ASP124
|
3.3
|
15.8
|
1.0
|
|
CG
|
E:HIS126
|
3.4
|
6.2
|
1.0
|
|
OD1
|
E:ASP232
|
3.6
|
13.6
|
1.0
|
|
O4
|
E:VV4403
|
3.6
|
10.7
|
1.0
|
|
CB
|
E:HIS126
|
3.9
|
3.3
|
1.0
|
|
OG1
|
E:THR246
|
4.0
|
15.7
|
1.0
|
|
CB
|
E:ASP234
|
4.1
|
5.6
|
1.0
|
|
CB
|
E:ASP232
|
4.1
|
7.0
|
1.0
|
|
C9
|
E:VV4403
|
4.2
|
10.7
|
1.0
|
|
N
|
E:HIS126
|
4.2
|
3.3
|
1.0
|
|
N
|
E:ALA125
|
4.3
|
4.4
|
1.0
|
|
NE2
|
E:HIS126
|
4.3
|
7.1
|
1.0
|
|
C8
|
E:VV4403
|
4.4
|
11.1
|
1.0
|
|
CB
|
E:ASP124
|
4.4
|
6.6
|
1.0
|
|
OD1
|
E:ASP128
|
4.4
|
8.9
|
1.0
|
|
CD2
|
E:HIS126
|
4.5
|
7.6
|
1.0
|
|
O
|
E:HOH515
|
4.6
|
9.6
|
1.0
|
|
CA
|
E:HIS126
|
4.7
|
3.0
|
1.0
|
|
CB
|
E:ALA125
|
4.7
|
4.7
|
1.0
|
|
OD2
|
E:ASP128
|
4.8
|
11.3
|
1.0
|
|
CA
|
E:ASP124
|
4.9
|
5.0
|
1.0
|
|
CA
|
E:ALA125
|
4.9
|
3.9
|
1.0
|
|
C
|
E:ALA125
|
5.0
|
6.9
|
1.0
|
|
Reference:
D.Li,
H.Zhang,
T.W.Lyons,
M.Lu,
A.Achab,
Q.Pu,
M.Childers,
M.J.Mitcheltree,
J.Wang,
T.A.Martinot,
S.E.Mcminn,
D.L.Sloman,
A.Palani,
A.Beard,
L.Nogle,
S.Gathiaka,
J.Sauri,
H.Y.Kim,
D.Adpressa,
P.Spacciapoli,
J.R.Miller,
R.L.Palte,
C.A.Lesburg,
J.Cumming,
C.Fischer.
Comprehensive Strategies to Bicyclic Prolines: Applications in the Synthesis of Potent Arginase Inhibitors. Acs Med.Chem.Lett. V. 12 1678 2021.
ISSN: ISSN 1948-5875
PubMed: 34795856
DOI: 10.1021/ACSMEDCHEMLETT.1C00258
Page generated: Sun Oct 6 08:50:00 2024
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