Atomistry » Manganese » PDB 4gwc-4ilk » 4ie2
Atomistry »
  Manganese »
    PDB 4gwc-4ilk »
      4ie2 »

Manganese in PDB 4ie2: Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H

Enzymatic activity of Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H

All present enzymatic activity of Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H:
3.5.3.1;

Protein crystallography data

The structure of Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H, PDB code: 4ie2 was solved by A.Cousido-Siah, A.Mitschler, F.X.Ruiz, P.Beckett, M.C.Van Zandt, M.K.Ji, D.Whitehouse, T.Ryder, E.Jagdmann, M.Andreoli, A.Mazur, M.Padmanilayam, H.Schroeter, A.Golebiowski, A.Podjarny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.51 / 2.21
Space group P 42 21 2
Cell size a, b, c (Å), α, β, γ (°) 128.094, 128.094, 159.085, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 21.7

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H (pdb code 4ie2). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 6 binding sites of Manganese where determined in the Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H, PDB code: 4ie2:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6;

Manganese binding site 1 out of 6 in 4ie2

Go back to Manganese Binding Sites List in 4ie2
Manganese binding site 1 out of 6 in the Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H


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 Human Arginase-2 Complexed with Inhibitor 1H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:16.8
occ:1.00
 OD2 A:ASP143 2.1 14.4 1.0
OD2 A:ASP147 2.1 14.9 1.0
ND1 A:HIS120 2.2 15.0 1.0
O13 A:1EC405 2.2 13.7 1.0
O11 A:1EC405 2.3 12.6 1.0
OD2 A:ASP251 2.3 15.5 1.0
B10 A:1EC405 2.7 14.8 1.0
CG A:ASP147 3.1 17.7 1.0
CG A:ASP143 3.1 14.6 1.0
CG A:HIS120 3.2 14.3 1.0
CE1 A:HIS120 3.2 14.8 1.0
CG A:ASP251 3.3 14.9 1.0
MN A:MN402 3.3 17.6 1.0
O23 A:1EC405 3.4 12.7 1.0
OD1 A:ASP147 3.4 15.2 1.0
CB A:HIS120 3.4 16.8 1.0
OD1 A:ASP143 3.5 13.8 1.0
CB A:ASP251 3.6 13.2 1.0
C9 A:1EC405 4.1 13.5 1.0
NE1 A:TRP141 4.3 18.1 1.0
NE2 A:HIS120 4.3 15.3 1.0
CD2 A:HIS120 4.3 12.1 1.0
OD1 A:ASP251 4.4 12.2 1.0
CB A:ASP143 4.4 12.5 1.0
CB A:ASP147 4.5 15.8 1.0
O A:HIS160 4.5 13.6 1.0
CZ2 A:TRP141 4.6 14.5 1.0
CG A:GLU296 4.8 14.4 1.0
CE2 A:TRP141 4.8 14.0 1.0
CG2 A:VAL295 4.9 11.8 1.0
CA A:ASP251 4.9 13.6 1.0
CA A:HIS120 4.9 14.1 1.0
OD2 A:ASP253 5.0 15.5 1.0
ND1 A:HIS145 5.0 17.9 1.0

Manganese binding site 2 out of 6 in 4ie2

Go back to Manganese Binding Sites List in 4ie2
Manganese binding site 2 out of 6 in the Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H


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 Human Arginase-2 Complexed with Inhibitor 1H within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:17.6
occ:1.00
 ND1 A:HIS145 2.1 17.9 1.0
OD1 A:ASP143 2.2 13.8 1.0
O13 A:1EC405 2.2 13.7 1.0
OD2 A:ASP253 2.2 15.5 1.0
OD2 A:ASP251 2.2 15.5 1.0
OD1 A:ASP253 2.5 16.8 1.0
CG A:ASP253 2.7 21.5 1.0
O23 A:1EC405 2.9 12.7 1.0
CE1 A:HIS145 3.0 13.9 1.0
CG A:ASP143 3.1 14.6 1.0
CG A:ASP251 3.1 14.9 1.0
CG A:HIS145 3.2 17.3 1.0
B10 A:1EC405 3.2 14.8 1.0
MN A:MN401 3.3 16.8 1.0
OD2 A:ASP143 3.4 14.4 1.0
CB A:HIS145 3.6 16.0 1.0
OD1 A:ASP251 3.7 12.2 1.0
N A:HIS145 4.0 13.8 1.0
CB A:ASP251 4.1 13.2 1.0
O11 A:1EC405 4.2 12.6 1.0
N A:ALA144 4.2 13.2 1.0
NE2 A:HIS145 4.2 14.3 1.0
CB A:ASP253 4.2 14.9 1.0
OG1 A:THR265 4.2 17.3 0.2
CD2 A:HIS145 4.3 11.4 1.0
C8 A:1EC405 4.4 18.4 1.0
C9 A:1EC405 4.4 13.5 1.0
OD1 A:ASP147 4.5 15.2 1.0
CA A:HIS145 4.5 14.9 1.0
CB A:ASP143 4.5 12.5 1.0
CB A:ALA144 4.7 16.1 1.0
OD2 A:ASP147 4.7 14.9 1.0
O A:HOH513 4.7 13.4 1.0
CA A:ALA144 4.8 16.2 1.0
C A:ALA144 4.8 16.6 1.0
CA A:ASP143 4.8 14.4 1.0
C A:ASP143 4.9 19.5 1.0

Manganese binding site 3 out of 6 in 4ie2

Go back to Manganese Binding Sites List in 4ie2
Manganese binding site 3 out of 6 in the Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H


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 Human Arginase-2 Complexed with Inhibitor 1H within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:17.6
occ:1.00
 OD2 B:ASP143 2.0 10.7 1.0
OD2 B:ASP147 2.1 17.2 1.0
O11 B:1EC406 2.2 15.2 1.0
OD2 B:ASP251 2.2 14.8 1.0
O13 B:1EC406 2.3 17.0 1.0
ND1 B:HIS120 2.3 13.8 1.0
B10 B:1EC406 2.6 15.4 1.0
CG B:ASP147 3.1 18.7 1.0
CG B:ASP143 3.1 14.4 1.0
CG B:HIS120 3.2 17.9 1.0
CE1 B:HIS120 3.2 15.9 1.0
CG B:ASP251 3.2 16.6 1.0
MN B:MN402 3.3 18.9 1.0
O23 B:1EC406 3.3 17.1 1.0
OD1 B:ASP147 3.3 14.3 1.0
OD1 B:ASP143 3.4 13.4 1.0
CB B:HIS120 3.5 14.6 1.0
CB B:ASP251 3.6 13.7 1.0
C9 B:1EC406 4.1 17.6 1.0
NE1 B:TRP141 4.3 12.9 1.0
CD2 B:HIS120 4.3 13.7 1.0
NE2 B:HIS120 4.3 13.7 1.0
OD1 B:ASP251 4.4 14.3 1.0
CB B:ASP143 4.4 13.1 1.0
CB B:ASP147 4.5 17.4 1.0
O B:HIS160 4.5 14.1 1.0
CZ2 B:TRP141 4.7 16.7 1.0
CG B:GLU296 4.8 14.3 1.0
CE2 B:TRP141 4.8 13.8 1.0
CA B:ASP251 4.9 13.5 1.0
OD2 B:ASP253 5.0 16.2 1.0
CA B:HIS120 5.0 17.2 1.0
CG2 B:VAL295 5.0 14.4 1.0

Manganese binding site 4 out of 6 in 4ie2

Go back to Manganese Binding Sites List in 4ie2
Manganese binding site 4 out of 6 in the Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H


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 Human Arginase-2 Complexed with Inhibitor 1H within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn402

b:18.9
occ:1.00
 OD1 B:ASP143 2.1 13.4 1.0
OD2 B:ASP253 2.2 16.2 1.0
O13 B:1EC406 2.3 17.0 1.0
ND1 B:HIS145 2.3 16.4 1.0
OD1 B:ASP253 2.4 17.0 1.0
OD2 B:ASP251 2.4 14.8 1.0
CG B:ASP253 2.6 15.0 1.0
O23 B:1EC406 2.7 17.1 1.0
CG B:ASP143 3.1 14.4 1.0
CE1 B:HIS145 3.1 15.5 1.0
CG B:ASP251 3.2 16.6 1.0
B10 B:1EC406 3.2 15.4 1.0
MN B:MN401 3.3 17.6 1.0
CG B:HIS145 3.3 18.9 1.0
OD2 B:ASP143 3.4 10.7 1.0
CB B:HIS145 3.7 14.7 1.0
OD1 B:ASP251 3.7 14.3 1.0
N B:HIS145 4.0 15.7 1.0
O11 B:1EC406 4.1 15.2 1.0
CB B:ASP251 4.1 13.7 1.0
N B:ALA144 4.1 16.7 1.0
CB B:ASP253 4.2 13.1 1.0
OG1 B:THR265 4.2 36.9 1.0
NE2 B:HIS145 4.3 16.1 1.0
C9 B:1EC406 4.4 17.6 1.0
OD1 B:ASP147 4.4 14.3 1.0
CD2 B:HIS145 4.4 15.7 1.0
C8 B:1EC406 4.4 14.5 1.0
CA B:HIS145 4.5 15.5 1.0
CB B:ASP143 4.5 13.1 1.0
CB B:ALA144 4.6 14.0 1.0
OD2 B:ASP147 4.7 17.2 1.0
CA B:ALA144 4.7 18.3 1.0
C B:ALA144 4.8 20.3 1.0
O B:HOH544 4.8 17.8 1.0
CA B:ASP143 4.9 15.5 1.0
C B:ASP143 4.9 16.9 1.0

Manganese binding site 5 out of 6 in 4ie2

Go back to Manganese Binding Sites List in 4ie2
Manganese binding site 5 out of 6 in the Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H


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 Human Arginase-2 Complexed with Inhibitor 1H within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn401

b:19.6
occ:1.00
 O13 C:1EC404 2.2 20.2 1.0
OD1 C:ASP143 2.2 13.9 1.0
OD2 C:ASP253 2.2 16.4 1.0
OD2 C:ASP251 2.3 17.3 1.0
ND1 C:HIS145 2.3 17.5 1.0
OD1 C:ASP253 2.5 18.1 1.0
O23 C:1EC404 2.6 21.3 1.0
CG C:ASP253 2.7 20.8 1.0
B10 C:1EC404 3.1 17.6 1.0
CG C:ASP251 3.1 18.7 1.0
CE1 C:HIS145 3.2 19.2 1.0
CG C:ASP143 3.2 14.1 1.0
CG C:HIS145 3.3 20.3 1.0
MN C:MN402 3.3 18.5 1.0
OD2 C:ASP143 3.5 14.8 1.0
CB C:HIS145 3.7 19.4 1.0
OD1 C:ASP251 3.8 16.5 1.0
O11 C:1EC404 4.0 17.5 1.0
N C:HIS145 4.0 14.8 1.0
CB C:ASP251 4.0 13.6 1.0
OG1 C:THR265 4.1 17.5 0.4
N C:ALA144 4.2 17.6 1.0
CB C:ASP253 4.2 16.9 1.0
C9 C:1EC404 4.3 19.7 1.0
C8 C:1EC404 4.3 16.9 1.0
NE2 C:HIS145 4.3 16.1 1.0
CD2 C:HIS145 4.4 16.1 1.0
OD1 C:ASP147 4.4 17.1 1.0
CA C:HIS145 4.5 17.1 1.0
CB C:ASP143 4.6 14.2 1.0
CB C:ALA144 4.7 15.1 1.0
O C:HOH536 4.7 16.8 1.0
CA C:ALA144 4.8 16.2 1.0
C C:ALA144 4.8 17.1 1.0
OD2 C:ASP147 4.8 20.4 1.0
CA C:ASP143 4.9 15.6 1.0
C C:ASP143 5.0 15.3 1.0

Manganese binding site 6 out of 6 in 4ie2

Go back to Manganese Binding Sites List in 4ie2
Manganese binding site 6 out of 6 in the Crystal Structure of Human Arginase-2 Complexed with Inhibitor 1H


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 Human Arginase-2 Complexed with Inhibitor 1H within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn402

b:18.5
occ:1.00
 O11 C:1EC404 2.1 17.5 1.0
OD2 C:ASP147 2.1 20.4 1.0
ND1 C:HIS120 2.2 14.7 1.0
OD2 C:ASP143 2.2 14.8 1.0
O13 C:1EC404 2.2 20.2 1.0
OD2 C:ASP251 2.4 17.3 1.0
B10 C:1EC404 2.6 17.6 1.0
CG C:ASP147 3.0 15.6 1.0
CG C:HIS120 3.1 18.0 1.0
CE1 C:HIS120 3.1 17.3 1.0
CG C:ASP143 3.2 14.1 1.0
OD1 C:ASP147 3.2 17.1 1.0
CG C:ASP251 3.3 18.7 1.0
O23 C:1EC404 3.3 21.3 1.0
MN C:MN401 3.3 19.6 1.0
CB C:HIS120 3.4 18.4 1.0
OD1 C:ASP143 3.5 13.9 1.0
CB C:ASP251 3.6 13.6 1.0
C9 C:1EC404 4.0 19.7 1.0
NE2 C:HIS120 4.2 17.3 1.0
CD2 C:HIS120 4.3 18.7 1.0
NE1 C:TRP141 4.3 16.6 1.0
CB C:ASP147 4.4 16.4 1.0
O C:HIS160 4.4 17.1 1.0
OD1 C:ASP251 4.4 16.5 1.0
CB C:ASP143 4.5 14.2 1.0
CZ2 C:TRP141 4.6 16.7 1.0
CE2 C:TRP141 4.8 21.3 1.0
CG C:GLU296 4.8 17.6 1.0
CA C:HIS120 4.9 18.4 1.0
CA C:ASP251 4.9 15.0 1.0

Reference:

A.Golebiowski, R.Paul Beckett, M.Van Zandt, M.K.Ji, D.Whitehouse, T.R.Ryder, E.Jagdmann, M.Andreoli, A.Mazur, M.Padmanilayam, A.Cousido-Siah, A.Mitschler, F.X.Ruiz, A.Podjarny, H.Schroeter. 2-Substituted-2-Amino-6-Boronohexanoic Acids As Arginase Inhibitors. Bioorg.Med.Chem.Lett. V. 23 2027 2013.
ISSN: ISSN 0960-894X
PubMed: 23453840
DOI: 10.1016/J.BMCL.2013.02.024
Page generated: Sat Oct 5 19:47:32 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy