Atomistry » Manganese » PDB 5nha-5raa » 5nmp
Atomistry »
  Manganese »
    PDB 5nha-5raa »
      5nmp »

Manganese in PDB 5nmp: Isatin Hydrolase A (Iha) From Ralstonia Solanacearum

Protein crystallography data

The structure of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum, PDB code: 5nmp was solved by T.Sommer, K.Bjerregaard-Andersen, J.P.Morth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 99.20 / 2.65
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 164.840, 164.840, 275.890, 90.00, 90.00, 120.00
R / Rfree (%) 16.1 / 19.3

Manganese Binding Sites:

The binding sites of Manganese atom in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum (pdb code 5nmp). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 10 binding sites of Manganese where determined in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum, PDB code: 5nmp:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 1 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:61.8
occ:1.00
 ND1 A:HIS74 2.1 43.6 1.0
OD1 A:ASP80 2.2 53.1 1.0
NE2 A:HIS78 2.2 58.0 1.0
O3 A:SIN302 2.4 95.9 1.0
O4 A:SIN302 2.6 93.8 1.0
C4 A:SIN302 2.8 95.5 1.0
CE1 A:HIS74 3.0 46.3 1.0
CG A:ASP80 3.0 53.8 1.0
NE2 A:GLN226 3.0 58.4 1.0
CD2 A:HIS78 3.0 54.5 1.0
OD2 A:ASP80 3.2 60.4 1.0
CG A:HIS74 3.2 46.6 1.0
CE1 A:HIS78 3.3 56.6 1.0
OE1 A:GLN226 3.4 70.9 1.0
CD A:GLN226 3.4 62.7 1.0
CB A:HIS74 3.6 45.8 1.0
NE2 A:HIS74 4.1 49.0 1.0
CG A:HIS78 4.2 51.4 1.0
CD2 A:HIS74 4.3 49.1 1.0
ND1 A:HIS78 4.3 54.9 1.0
C3 A:SIN302 4.3 91.9 1.0
NE2 A:HIS84 4.3 48.1 1.0
CB A:ASP80 4.5 43.6 1.0
CA A:HIS74 4.5 47.5 1.0
CG A:GLN226 4.5 56.0 1.0
CD2 A:HIS84 4.6 48.4 1.0
NE2 A:HIS214 4.9 65.2 1.0
CA A:ASP80 5.0 41.3 1.0

Manganese binding site 2 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 2 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn301

b:54.9
occ:1.00
 OD1 B:ASP80 2.2 61.5 1.0
ND1 B:HIS74 2.2 55.8 1.0
OE1 B:GLN226 2.2 74.0 1.0
NE2 B:HIS78 2.3 58.7 1.0
O1 B:SIN302 2.7 0.8 1.0
CG B:ASP80 2.9 64.7 1.0
CE1 B:HIS74 3.0 54.2 1.0
OD2 B:ASP80 3.0 72.3 1.0
CD2 B:HIS78 3.2 59.7 1.0
CD B:GLN226 3.2 71.8 1.0
CE1 B:HIS78 3.2 57.0 1.0
CG B:HIS74 3.3 59.3 1.0
CB B:HIS74 3.7 59.1 1.0
NE2 B:GLN226 3.8 78.8 1.0
C1 B:SIN302 3.9 97.1 1.0
NE2 B:HIS84 4.1 56.3 1.0
NE2 B:HIS74 4.2 53.6 1.0
CD2 B:HIS74 4.3 57.9 1.0
CD2 B:HIS84 4.3 55.3 1.0
ND1 B:HIS78 4.3 57.2 1.0
CG B:HIS78 4.3 58.7 1.0
CB B:ASP80 4.4 57.2 1.0
CG B:GLN226 4.4 62.5 1.0
O2 B:SIN302 4.7 91.5 1.0
CA B:HIS74 4.7 59.0 1.0
NE2 B:HIS214 4.7 83.6 1.0
C2 B:SIN302 4.9 91.4 1.0

Manganese binding site 3 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 3 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn301

b:43.6
occ:1.00
 ND1 C:HIS74 2.1 49.2 1.0
OD1 C:ASP80 2.1 60.8 1.0
NE2 C:HIS78 2.2 50.9 1.0
O2 C:SIN302 2.4 0.6 1.0
CG C:ASP80 2.9 55.8 1.0
OD2 C:ASP80 2.9 56.8 1.0
CE1 C:HIS74 3.0 48.5 1.0
NE2 C:GLN226 3.1 68.4 1.0
C1 C:SIN302 3.1 0.7 1.0
CD2 C:HIS78 3.1 51.0 1.0
CE1 C:HIS78 3.2 43.6 1.0
CG C:HIS74 3.2 50.5 1.0
O1 C:SIN302 3.4 0.5 1.0
CD C:GLN226 3.4 64.4 1.0
OE1 C:GLN226 3.5 67.2 1.0
CB C:HIS74 3.7 50.5 1.0
NE2 C:HIS74 4.1 49.0 1.0
NE2 C:HIS84 4.2 50.8 1.0
CD2 C:HIS74 4.3 50.6 1.0
ND1 C:HIS78 4.3 48.1 1.0
CG C:HIS78 4.3 50.9 1.0
CB C:ASP80 4.3 46.8 1.0
C2 C:SIN302 4.4 0.9 1.0
CG C:GLN226 4.4 55.7 1.0
CD2 C:HIS84 4.4 45.8 1.0
CA C:HIS74 4.6 54.1 1.0
NE2 C:HIS214 4.8 68.4 1.0
CE1 C:HIS84 4.9 51.1 1.0
CA C:ASP80 5.0 44.2 1.0

Manganese binding site 4 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 4 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn301

b:57.6
occ:1.00
 O3 D:SIN302 2.1 80.9 1.0
OD1 D:ASP80 2.2 73.6 1.0
O4 D:SIN302 2.2 87.1 1.0
ND1 D:HIS74 2.2 56.7 1.0
OD2 D:ASP80 2.2 69.3 1.0
NE2 D:HIS78 2.2 59.3 1.0
C4 D:SIN302 2.5 87.8 1.0
CG D:ASP80 2.5 66.2 1.0
CD2 D:HIS78 3.0 58.1 1.0
CE1 D:HIS74 3.0 56.1 1.0
NE2 D:GLN226 3.2 76.5 1.0
CG D:HIS74 3.3 55.1 1.0
CE1 D:HIS78 3.3 57.3 1.0
CD D:GLN226 3.4 74.8 1.0
OE1 D:GLN226 3.5 76.3 1.0
CB D:HIS74 3.8 52.2 1.0
C3 D:SIN302 4.0 91.8 1.0
CB D:ASP80 4.0 56.2 1.0
NE2 D:HIS74 4.2 55.0 1.0
CG D:HIS78 4.2 55.0 1.0
ND1 D:HIS78 4.3 55.6 1.0
CD2 D:HIS74 4.4 55.1 1.0
CG D:GLN226 4.4 69.3 1.0
NE2 D:HIS84 4.5 54.1 1.0
CD2 D:HIS84 4.6 53.9 1.0
CA D:HIS74 4.7 53.0 1.0
C2 D:SIN302 4.8 92.2 1.0
CA D:ASP80 4.8 53.8 1.0
NE2 D:HIS214 4.8 71.2 1.0

Manganese binding site 5 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 5 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn301

b:56.4
occ:1.00
 O1 E:SIN302 2.0 0.7 1.0
ND1 E:HIS74 2.2 56.9 1.0
OD1 E:ASP80 2.2 65.3 1.0
NE2 E:HIS78 2.2 55.5 1.0
C1 E:SIN302 2.5 0.8 1.0
O2 E:SIN302 2.6 0.1 1.0
CD2 E:HIS78 3.0 56.7 1.0
CG E:ASP80 3.0 66.4 1.0
CE1 E:HIS74 3.1 57.4 1.0
NE2 E:GLN226 3.1 78.2 1.0
CG E:HIS74 3.2 56.9 1.0
OD2 E:ASP80 3.2 68.0 1.0
CE1 E:HIS78 3.3 55.3 1.0
CD E:GLN226 3.5 79.0 1.0
CB E:HIS74 3.5 56.6 1.0
OE1 E:GLN226 3.6 86.0 1.0
C2 E:SIN302 3.9 0.8 1.0
NE2 E:HIS74 4.2 57.6 1.0
CG E:HIS78 4.2 55.9 1.0
CD2 E:HIS74 4.3 57.5 1.0
ND1 E:HIS78 4.3 55.7 1.0
NE2 E:HIS84 4.4 60.3 1.0
CB E:ASP80 4.5 64.3 1.0
CG E:GLN226 4.5 72.4 1.0
CA E:HIS74 4.5 55.5 1.0
CD2 E:HIS84 4.6 64.8 1.0
NE2 E:HIS214 4.8 83.6 1.0
C3 E:SIN302 5.0 0.3 1.0

Manganese binding site 6 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 6 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn301

b:48.0
occ:1.00
 O3 F:SIN302 2.0 80.9 1.0
O4 F:SIN302 2.0 81.9 1.0
OD1 F:ASP80 2.1 61.7 1.0
NE2 F:HIS78 2.2 46.5 1.0
ND1 F:HIS74 2.2 53.0 1.0
C4 F:SIN302 2.3 86.2 1.0
CD2 F:HIS78 3.0 45.9 1.0
CG F:ASP80 3.0 56.9 1.0
CE1 F:HIS74 3.1 49.4 1.0
OD2 F:ASP80 3.1 57.4 1.0
NE2 F:GLN226 3.2 63.7 1.0
CG F:HIS74 3.2 48.5 1.0
CE1 F:HIS78 3.3 51.5 1.0
CD F:GLN226 3.5 66.5 1.0
CB F:HIS74 3.6 49.0 1.0
OE1 F:GLN226 3.7 72.8 1.0
C3 F:SIN302 3.8 91.2 1.0
CG F:HIS78 4.2 48.6 1.0
NE2 F:HIS74 4.2 50.7 1.0
NE2 F:HIS84 4.3 55.3 1.0
ND1 F:HIS78 4.3 49.6 1.0
CD2 F:HIS74 4.3 49.0 1.0
CB F:ASP80 4.4 51.3 1.0
CG F:GLN226 4.4 61.5 1.0
CD2 F:HIS84 4.5 54.0 1.0
CA F:HIS74 4.5 52.4 1.0
C2 F:SIN302 4.5 95.2 1.0
NE2 F:HIS214 4.8 64.0 1.0
CA F:ASP80 5.0 48.5 1.0
CE1 F:HIS84 5.0 55.1 1.0

Manganese binding site 7 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 7 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn301

b:61.2
occ:1.00
 OD1 G:ASP80 2.2 73.8 1.0
ND1 G:HIS74 2.2 59.8 1.0
O G:HOH417 2.2 70.6 1.0
NE2 G:HIS78 2.2 72.2 1.0
OD2 G:ASP80 2.8 76.6 1.0
CG G:ASP80 2.8 75.0 1.0
CE1 G:HIS74 3.1 63.4 1.0
CE1 G:HIS78 3.2 66.7 1.0
CD2 G:HIS78 3.2 68.5 1.0
CG G:HIS74 3.2 64.6 1.0
NE2 G:GLN226 3.3 80.7 1.0
OE1 G:GLN226 3.5 79.0 1.0
CD G:GLN226 3.5 77.0 1.0
CB G:HIS74 3.6 62.8 1.0
NE2 G:HIS84 4.1 73.0 1.0
NE2 G:HIS74 4.2 65.2 1.0
CD2 G:HIS74 4.3 65.3 1.0
ND1 G:HIS78 4.3 60.6 1.0
CG G:HIS78 4.3 64.0 1.0
CB G:ASP80 4.3 73.5 1.0
CD2 G:HIS84 4.4 72.3 1.0
CA G:HIS74 4.6 63.1 1.0
CG G:GLN226 4.6 71.3 1.0
NE2 G:HIS214 4.6 85.4 1.0
CE1 G:HIS84 5.0 74.1 1.0

Manganese binding site 8 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 8 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn301

b:73.5
occ:1.00
 ND1 H:HIS74 2.1 68.5 1.0
OD1 H:ASP80 2.2 79.5 1.0
NE2 H:HIS78 2.3 75.7 1.0
O4 H:SIN302 2.4 0.2 1.0
NE2 H:GLN226 2.5 96.8 1.0
CE1 H:HIS74 3.0 68.3 1.0
CG H:ASP80 3.0 78.9 1.0
CD2 H:HIS78 3.1 73.1 1.0
OD2 H:ASP80 3.1 83.6 1.0
CG H:HIS74 3.2 69.1 1.0
CE1 H:HIS78 3.3 76.0 1.0
CD H:GLN226 3.3 96.4 1.0
CB H:HIS74 3.6 71.5 1.0
C4 H:SIN302 3.7 0.2 1.0
OE1 H:GLN226 3.7 0.4 1.0
NE2 H:HIS74 4.1 66.2 1.0
CG H:HIS78 4.2 72.6 1.0
NE2 H:HIS84 4.2 71.8 1.0
CD2 H:HIS74 4.3 67.4 1.0
ND1 H:HIS78 4.3 74.1 1.0
O3 H:SIN302 4.3 0.3 1.0
CG H:GLN226 4.4 89.5 1.0
CD2 H:HIS84 4.4 70.7 1.0
CB H:ASP80 4.4 71.0 1.0
CA H:HIS74 4.7 73.0 1.0
C3 H:SIN302 4.7 0.0 1.0
CE1 H:HIS214 4.7 93.2 1.0

Manganese binding site 9 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 9 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn301

b:50.6
occ:1.00
 ND1 I:HIS74 2.1 50.7 1.0
OD1 I:ASP80 2.2 61.8 1.0
NE2 I:HIS78 2.2 50.3 1.0
O3 I:SIN302 2.3 0.2 1.0
O4 I:SIN302 2.5 0.5 1.0
C4 I:SIN302 2.8 0.9 1.0
CG I:ASP80 2.9 59.1 1.0
CE1 I:HIS74 3.0 51.1 1.0
OD2 I:ASP80 3.0 57.5 1.0
CD2 I:HIS78 3.1 52.6 1.0
CG I:HIS74 3.2 52.2 1.0
CE1 I:HIS78 3.2 50.6 1.0
NE2 I:GLN226 3.3 70.2 1.0
CD I:GLN226 3.6 69.4 1.0
OE1 I:GLN226 3.6 75.8 1.0
CB I:HIS74 3.6 52.5 1.0
NE2 I:HIS74 4.1 51.5 1.0
CD2 I:HIS74 4.2 54.5 1.0
CG I:HIS78 4.3 50.8 1.0
C3 I:SIN302 4.3 0.9 1.0
ND1 I:HIS78 4.3 49.5 1.0
NE2 I:HIS84 4.4 60.5 1.0
CB I:ASP80 4.4 55.4 1.0
CD2 I:HIS84 4.5 58.5 1.0
CG I:GLN226 4.6 61.6 1.0
CA I:HIS74 4.6 54.1 1.0
NE2 I:HIS214 4.8 59.7 1.0

Manganese binding site 10 out of 10 in 5nmp

Go back to Manganese Binding Sites List in 5nmp
Manganese binding site 10 out of 10 in the Isatin Hydrolase A (Iha) From Ralstonia Solanacearum


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Isatin Hydrolase A (Iha) From Ralstonia Solanacearum within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn301

b:46.1
occ:1.00
 ND1 J:HIS74 2.2 56.5 1.0
OD1 J:ASP80 2.2 67.7 1.0
NE2 J:HIS78 2.2 52.0 1.0
O J:HOH428 2.2 50.2 1.0
CD2 J:HIS78 3.0 50.1 1.0
CG J:ASP80 3.0 63.2 1.0
CG J:HIS74 3.1 57.9 1.0
CE1 J:HIS74 3.1 53.0 1.0
NE2 J:GLN226 3.1 61.4 1.0
OD2 J:ASP80 3.2 63.2 1.0
CE1 J:HIS78 3.2 51.8 1.0
CB J:HIS74 3.4 46.7 1.0
CD J:GLN226 3.6 61.2 1.0
OE1 J:GLN226 3.8 66.6 1.0
NE2 J:HIS74 4.2 55.2 1.0
CD2 J:HIS74 4.2 56.2 1.0
CG J:HIS78 4.2 50.4 1.0
NE2 J:HIS84 4.3 53.0 1.0
ND1 J:HIS78 4.3 50.5 1.0
CA J:HIS74 4.4 46.2 1.0
CB J:ASP80 4.5 56.1 1.0
CD2 J:HIS84 4.5 53.6 1.0
CG J:GLN226 4.6 54.2 1.0
NE2 J:HIS214 4.8 63.6 1.0

Reference:

T.Sommer, K.Bjerregaard-Andersen, L.Uribe, M.Etzerodt, G.Diezemann, J.Gauss, M.Cascella, J.P.Morth. A Fundamental Catalytic Difference Between Zinc and Manganese Dependent Enzymes Revealed in A Bacterial Isatin Hydrolase. Sci Rep V. 8 13104 2018.
ISSN: ESSN 2045-2322
PubMed: 30166577
DOI: 10.1038/S41598-018-31259-Y
Page generated: Sun Oct 6 02:03:58 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