Atomistry » Manganese » PDB 4php-4qsf » 4q3u
Atomistry »
  Manganese »
    PDB 4php-4qsf »
      4q3u »

Manganese in PDB 4q3u: Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-Noha

Enzymatic activity of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-Noha

All present enzymatic activity of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-Noha:
3.5.3.1;

Protein crystallography data

The structure of Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-Noha, PDB code: 4q3u 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) 49.46 / 2.50
Space group P 21 3
Cell size a, b, c (Å), α, β, γ (°) 178.318, 178.318, 178.318, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 22.5

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-Noha (pdb code 4q3u). 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 Nor-Noha, PDB code: 4q3u:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 4q3u

Go back to Manganese Binding Sites List in 4q3u
Manganese binding site 1 out of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-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 Nor-Noha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn401

b:29.4
occ:1.00
 OH1 A:NNH405 2.0 34.1 1.0
OD2 A:ASP158 2.1 27.6 1.0
ND1 A:HIS131 2.2 25.0 1.0
OD2 A:ASP154 2.2 23.8 1.0
OD2 A:ASP262 2.2 26.1 1.0
CG A:HIS131 3.1 28.3 1.0
CE1 A:HIS131 3.1 26.7 1.0
CG A:ASP158 3.1 28.4 1.0
NH1 A:NNH405 3.2 30.8 1.0
CG A:ASP154 3.2 27.1 1.0
MN A:MN402 3.2 27.1 1.0
CG A:ASP262 3.3 24.7 1.0
CB A:HIS131 3.4 24.5 1.0
OD1 A:ASP154 3.5 28.1 1.0
OD1 A:ASP158 3.5 30.1 1.0
CB A:ASP262 3.7 22.7 1.0
NE2 A:HIS131 4.2 26.4 1.0
CE A:NNH405 4.2 29.7 1.0
CD2 A:HIS131 4.2 27.5 1.0
OD1 A:ASP262 4.3 24.6 1.0
NH2 A:NNH405 4.5 30.4 1.0
CB A:ASP158 4.5 25.1 1.0
CG A:GLU307 4.5 29.4 1.0
NE1 A:TRP152 4.5 25.2 1.0
CB A:ASP154 4.5 25.6 1.0
O A:HIS171 4.6 33.1 1.0
CZ2 A:TRP152 4.6 24.2 1.0
OE2 A:GLU307 4.8 30.3 1.0
CB A:HIS156 4.8 26.4 1.0
ND1 A:HIS156 4.9 28.2 1.0
OD2 A:ASP264 4.9 23.3 1.0
CE2 A:TRP152 4.9 24.7 1.0
CA A:HIS131 4.9 29.6 1.0
CA A:ASP262 5.0 25.4 1.0

Manganese binding site 2 out of 8 in 4q3u

Go back to Manganese Binding Sites List in 4q3u
Manganese binding site 2 out of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-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 Nor-Noha within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn402

b:27.1
occ:1.00
 OH1 A:NNH405 2.1 34.1 1.0
ND1 A:HIS156 2.2 28.2 1.0
OD1 A:ASP154 2.2 28.1 1.0
OD2 A:ASP262 2.3 26.1 1.0
OD2 A:ASP264 2.3 23.3 1.0
OD1 A:ASP264 2.3 24.2 1.0
CG A:ASP264 2.6 26.4 1.0
NH1 A:NNH405 3.0 30.8 1.0
CG A:ASP262 3.1 24.7 1.0
CE1 A:HIS156 3.1 27.5 1.0
CG A:ASP154 3.2 27.1 1.0
MN A:MN401 3.2 29.4 1.0
CG A:HIS156 3.3 29.4 1.0
OD2 A:ASP154 3.4 23.8 1.0
NH2 A:NNH405 3.4 30.4 1.0
CE A:NNH405 3.5 29.7 1.0
CB A:HIS156 3.6 26.4 1.0
OD1 A:ASP262 3.7 24.6 1.0
N A:HIS156 3.9 28.2 1.0
CB A:ASP262 4.0 22.7 1.0
CB A:ASP264 4.2 24.9 1.0
NE2 A:HIS156 4.3 28.6 1.0
N A:ALA155 4.3 22.4 1.0
CD2 A:HIS156 4.4 27.8 1.0
CA A:HIS156 4.4 30.6 1.0
OG1 A:THR276 4.5 39.0 1.0
CB A:ASP154 4.5 25.6 1.0
C A:ALA155 4.7 27.6 1.0
CB A:ALA155 4.7 24.9 1.0
OD2 A:ASP158 4.8 27.6 1.0
O A:HOH505 4.8 26.7 1.0
CA A:ALA155 4.8 28.3 1.0
ND A:NNH405 4.8 29.2 1.0
CA A:ASP154 4.9 24.4 1.0
OD1 A:ASP158 5.0 30.1 1.0

Manganese binding site 3 out of 8 in 4q3u

Go back to Manganese Binding Sites List in 4q3u
Manganese binding site 3 out of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-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 Nor-Noha within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn401

b:29.0
occ:1.00
 OH1 B:NNH405 1.8 34.1 1.0
OD2 B:ASP158 2.0 30.4 1.0
ND1 B:HIS131 2.2 30.1 1.0
OD2 B:ASP154 2.2 24.1 1.0
OD2 B:ASP262 2.3 25.5 1.0
NH1 B:NNH405 2.9 32.2 1.0
CG B:ASP158 3.1 27.3 1.0
CE1 B:HIS131 3.1 32.0 1.0
CG B:HIS131 3.2 32.0 1.0
CG B:ASP154 3.2 28.4 1.0
MN B:MN402 3.2 26.8 1.0
CG B:ASP262 3.3 25.9 1.0
CB B:HIS131 3.5 30.1 1.0
OD1 B:ASP154 3.5 25.4 1.0
OD1 B:ASP158 3.5 25.2 1.0
CB B:ASP262 3.7 26.2 1.0
CE B:NNH405 4.1 28.6 1.0
NE2 B:HIS131 4.2 29.7 1.0
CD2 B:HIS131 4.3 27.4 1.0
CB B:ASP158 4.4 23.7 1.0
OD1 B:ASP262 4.4 28.2 1.0
NH2 B:NNH405 4.4 27.9 1.0
NE1 B:TRP152 4.4 27.6 1.0
CB B:ASP154 4.5 26.5 1.0
O B:HIS171 4.6 28.6 1.0
CG B:GLU307 4.6 26.2 1.0
CZ2 B:TRP152 4.6 31.3 1.0
OE2 B:GLU307 4.8 28.3 1.0
ND1 B:HIS156 4.8 32.6 1.0
OD2 B:ASP264 4.8 27.7 1.0
CE2 B:TRP152 4.9 26.2 1.0
CA B:ASP262 5.0 25.0 1.0
OD1 B:ASP264 5.0 26.9 1.0
CA B:HIS131 5.0 30.6 1.0

Manganese binding site 4 out of 8 in 4q3u

Go back to Manganese Binding Sites List in 4q3u
Manganese binding site 4 out of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-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 Nor-Noha within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn402

b:26.8
occ:1.00
 OH1 B:NNH405 2.1 34.1 1.0
ND1 B:HIS156 2.2 32.6 1.0
OD2 B:ASP262 2.2 25.5 1.0
OD1 B:ASP154 2.2 25.4 1.0
OD2 B:ASP264 2.2 27.7 1.0
OD1 B:ASP264 2.3 26.9 1.0
CG B:ASP264 2.6 27.9 1.0
NH1 B:NNH405 2.9 32.2 1.0
CE1 B:HIS156 2.9 29.2 1.0
CG B:ASP262 3.1 25.9 1.0
CG B:ASP154 3.2 28.4 1.0
MN B:MN401 3.2 29.0 1.0
CG B:HIS156 3.3 32.5 1.0
OD2 B:ASP154 3.4 24.1 1.0
NH2 B:NNH405 3.4 27.9 1.0
CE B:NNH405 3.5 28.6 1.0
OD1 B:ASP262 3.7 28.2 1.0
CB B:HIS156 3.8 30.3 1.0
CB B:ASP262 3.9 26.2 1.0
N B:HIS156 4.0 30.5 1.0
NE2 B:HIS156 4.1 29.9 1.0
CB B:ASP264 4.1 28.0 1.0
N B:ALA155 4.2 27.4 1.0
CD2 B:HIS156 4.3 31.2 1.0
CB B:ALA155 4.5 28.3 1.0
OG1 B:THR276 4.5 38.3 1.0
CB B:ASP154 4.5 26.5 1.0
CA B:HIS156 4.6 30.3 1.0
OD2 B:ASP158 4.7 30.4 1.0
CA B:ALA155 4.7 28.6 1.0
ND B:NNH405 4.7 31.4 1.0
O B:HOH502 4.7 28.1 1.0
C B:ALA155 4.8 29.7 1.0
CA B:ASP154 4.9 23.9 1.0
OD1 B:ASP158 4.9 25.2 1.0

Manganese binding site 5 out of 8 in 4q3u

Go back to Manganese Binding Sites List in 4q3u
Manganese binding site 5 out of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-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 Nor-Noha within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn401

b:36.0
occ:1.00
 OH1 C:NNH405 1.8 40.5 1.0
OD2 C:ASP158 2.1 33.3 1.0
OD2 C:ASP262 2.2 32.7 1.0
ND1 C:HIS131 2.2 35.6 1.0
OD2 C:ASP154 2.2 33.7 1.0
NH1 C:NNH405 3.0 41.1 1.0
CG C:HIS131 3.1 38.0 1.0
CG C:ASP158 3.2 34.1 1.0
CE1 C:HIS131 3.2 38.2 1.0
MN C:MN402 3.2 37.8 1.0
CG C:ASP262 3.2 35.0 1.0
CG C:ASP154 3.2 35.3 1.0
CB C:HIS131 3.4 36.4 1.0
OD1 C:ASP154 3.5 36.9 1.0
OD1 C:ASP158 3.6 38.8 1.0
CB C:ASP262 3.6 34.3 1.0
CE C:NNH405 4.2 35.1 1.0
NE2 C:HIS131 4.3 34.5 1.0
CD2 C:HIS131 4.3 36.7 1.0
OD1 C:ASP262 4.3 39.4 1.0
NH2 C:NNH405 4.4 36.3 1.0
NE1 C:TRP152 4.4 37.1 1.0
CB C:ASP158 4.5 33.0 1.0
O C:HIS171 4.5 36.9 1.0
CG C:GLU307 4.5 37.1 1.0
CB C:ASP154 4.5 35.5 1.0
CZ2 C:TRP152 4.6 34.3 1.0
OE2 C:GLU307 4.8 38.3 1.0
OD2 C:ASP264 4.8 34.0 1.0
CE2 C:TRP152 4.8 36.9 1.0
ND1 C:HIS156 4.9 36.0 1.0
CA C:ASP262 4.9 36.8 1.0
CA C:HIS131 4.9 37.9 1.0
CB C:HIS156 5.0 34.5 1.0

Manganese binding site 6 out of 8 in 4q3u

Go back to Manganese Binding Sites List in 4q3u
Manganese binding site 6 out of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-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 Nor-Noha within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn402

b:37.8
occ:1.00
 ND1 C:HIS156 2.2 36.0 1.0
OH1 C:NNH405 2.2 40.5 1.0
OD2 C:ASP264 2.2 34.0 1.0
OD1 C:ASP154 2.2 36.9 1.0
OD2 C:ASP262 2.3 32.7 1.0
OD1 C:ASP264 2.4 38.1 1.0
CG C:ASP264 2.7 36.7 1.0
NH1 C:NNH405 3.0 41.1 1.0
CE1 C:HIS156 3.0 35.8 1.0
CG C:ASP262 3.1 35.0 1.0
CG C:ASP154 3.1 35.3 1.0
MN C:MN401 3.2 36.0 1.0
CG C:HIS156 3.3 33.0 1.0
NH2 C:NNH405 3.4 36.3 1.0
OD2 C:ASP154 3.4 33.7 1.0
CE C:NNH405 3.5 35.1 1.0
OD1 C:ASP262 3.7 39.4 1.0
CB C:HIS156 3.7 34.5 1.0
CB C:ASP262 4.0 34.3 1.0
N C:HIS156 4.0 34.4 1.0
CB C:ASP264 4.2 32.5 1.0
NE2 C:HIS156 4.2 38.6 1.0
N C:ALA155 4.3 35.9 1.0
CD2 C:HIS156 4.3 33.9 1.0
OG1 C:THR276 4.5 43.4 1.0
CA C:HIS156 4.5 35.1 1.0
CB C:ASP154 4.5 35.5 1.0
OD2 C:ASP158 4.7 33.3 1.0
ND C:NNH405 4.7 35.0 1.0
O C:HOH507 4.7 36.5 1.0
CB C:ALA155 4.8 37.0 1.0
C C:ALA155 4.8 37.0 1.0
CA C:ASP154 4.9 32.5 1.0
CA C:ALA155 4.9 33.6 1.0
OD1 C:ASP158 4.9 38.8 1.0

Manganese binding site 7 out of 8 in 4q3u

Go back to Manganese Binding Sites List in 4q3u
Manganese binding site 7 out of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-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 Nor-Noha within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn401

b:51.8
occ:1.00
 OH1 D:NNH403 2.0 53.6 1.0
OD2 D:ASP158 2.3 54.4 1.0
OD2 D:ASP154 2.4 54.3 1.0
ND1 D:HIS131 2.4 55.1 1.0
OD2 D:ASP262 2.5 49.8 1.0
NH1 D:NNH403 3.2 60.8 1.0
CG D:ASP158 3.2 60.4 1.0
CG D:HIS131 3.3 60.3 1.0
CG D:ASP154 3.4 56.2 1.0
MN D:MN402 3.4 60.0 1.0
CB D:HIS131 3.4 60.5 1.0
CG D:ASP262 3.4 55.4 1.0
CE1 D:HIS131 3.5 60.2 1.0
OD1 D:ASP158 3.5 60.7 1.0
OD1 D:ASP154 3.6 57.0 1.0
CB D:ASP262 3.6 55.2 1.0
CE D:NNH403 4.3 56.4 1.0
NE1 D:TRP152 4.4 60.5 1.0
CZ2 D:TRP152 4.4 59.8 1.0
CD2 D:HIS131 4.5 63.6 1.0
CB D:ASP158 4.5 58.6 1.0
NE2 D:HIS131 4.5 64.7 1.0
OD1 D:ASP262 4.5 56.4 1.0
O D:HIS171 4.6 63.4 1.0
CG D:GLU307 4.6 57.6 1.0
NH2 D:NNH403 4.6 55.8 1.0
CB D:ASP154 4.7 61.4 1.0
CE2 D:TRP152 4.8 58.9 1.0
CA D:HIS131 4.9 64.9 1.0
CA D:ASP262 4.9 55.3 1.0
OE2 D:GLU307 4.9 51.2 1.0
OD2 D:ASP264 5.0 51.9 1.0

Manganese binding site 8 out of 8 in 4q3u

Go back to Manganese Binding Sites List in 4q3u
Manganese binding site 8 out of 8 in the Crystal Structure of Schistosoma Mansoni Arginase in Complex with Inhibitor Nor-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 Nor-Noha within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn402

b:60.0
occ:1.00
 OD1 D:ASP264 2.3 56.5 1.0
OH1 D:NNH403 2.3 53.6 1.0
OD2 D:ASP262 2.3 49.8 1.0
ND1 D:HIS156 2.4 54.7 1.0
OD1 D:ASP154 2.4 57.0 1.0
OD2 D:ASP264 2.4 51.9 1.0
CG D:ASP264 2.7 53.8 1.0
NH1 D:NNH403 3.0 60.8 1.0
CG D:ASP262 3.1 55.4 1.0
CE1 D:HIS156 3.2 55.9 1.0
CG D:ASP154 3.3 56.2 1.0
MN D:MN401 3.4 51.8 1.0
CG D:HIS156 3.5 61.2 1.0
NH2 D:NNH403 3.5 55.8 1.0
CE D:NNH403 3.6 56.4 1.0
OD2 D:ASP154 3.6 54.3 1.0
OD1 D:ASP262 3.8 56.4 1.0
CB D:HIS156 3.9 59.1 1.0
N D:HIS156 3.9 57.1 1.0
CB D:ASP262 4.0 55.2 1.0
CB D:ASP264 4.2 54.0 1.0
N D:ALA155 4.3 57.0 1.0
NE2 D:HIS156 4.4 66.4 1.0
CA D:HIS156 4.5 60.9 1.0
CB D:ALA155 4.5 55.1 1.0
CD2 D:HIS156 4.6 62.0 1.0
CB D:ASP154 4.7 61.4 1.0
CA D:ALA155 4.7 56.6 1.0
C D:ALA155 4.7 58.0 1.0
ND D:NNH403 4.8 59.6 1.0
OD1 D:ASP158 4.9 60.7 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 20:53:51 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy