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Manganese in PDB 8qav: Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2

Enzymatic activity of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2

All present enzymatic activity of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2:
4.2.1.19;

Manganese Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 48;

Binding sites:

The binding sites of Manganese atom in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 (pdb code 8qav). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 48 binding sites of Manganese where determined in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2, PDB code: 8qav:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 48 in 8qav

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Manganese binding site 1 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn301

b:19.9
occ:1.00
OE1 A:GLU145 2.3 17.2 1.0
NE2 A:HIS141 2.4 12.6 1.0
O A:HOH413 2.5 14.9 1.0
NE2 A:HIS213 2.5 12.3 1.0
N3 J:IG2301 2.6 24.0 1.0
NE2 J:HIS238 2.7 9.1 1.0
CD2 A:HIS141 3.3 12.9 1.0
CD A:GLU145 3.3 17.4 1.0
CE1 A:HIS213 3.4 11.7 1.0
CE1 A:HIS141 3.4 9.8 1.0
C6 J:IG2301 3.4 19.8 1.0
C5 J:IG2301 3.5 27.3 1.0
CE1 J:HIS238 3.5 6.0 1.0
CD2 A:HIS213 3.5 12.0 1.0
OE2 A:GLU145 3.7 17.2 1.0
CD2 J:HIS238 3.7 7.2 1.0
CG A:HIS141 4.5 13.8 1.0
ND1 A:HIS141 4.5 12.4 1.0
CG A:GLU145 4.5 16.3 1.0
ND1 A:HIS213 4.5 12.6 1.0
N1 J:IG2301 4.6 25.4 1.0
O A:HOH418 4.6 12.7 1.0
C4 J:IG2301 4.6 31.3 1.0
CG A:HIS213 4.6 11.0 1.0
ND1 J:HIS238 4.7 7.5 1.0
OD2 J:ASP176 4.8 16.8 1.0
CG J:HIS238 4.8 8.4 1.0
CB A:GLU145 4.8 14.7 1.0

Manganese binding site 2 out of 48 in 8qav

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Manganese binding site 2 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn302

b:31.4
occ:1.00
OE1 A:GLU241 2.2 21.5 1.0
NE2 A:HIS237 2.4 15.8 1.0
N1 A:IG2304 2.4 23.2 1.0
NE2 W:HIS142 2.5 21.9 1.0
NE2 A:HIS115 2.6 17.6 1.0
O1 A:IG2304 3.1 28.5 1.0
C4 A:IG2304 3.2 28.6 1.0
CE1 A:HIS237 3.2 13.4 1.0
CE1 W:HIS142 3.2 19.7 1.0
CD A:GLU241 3.3 20.4 1.0
CD2 A:HIS237 3.4 12.2 1.0
C6 A:IG2304 3.4 20.1 1.0
C3 A:IG2304 3.5 30.0 1.0
CD2 A:HIS115 3.5 16.4 1.0
CE1 A:HIS115 3.6 16.3 1.0
OE2 A:GLU241 3.7 24.6 1.0
CD2 W:HIS142 3.7 19.1 1.0
ND1 A:HIS237 4.4 11.6 1.0
C5 A:IG2304 4.4 26.5 1.0
N3 A:IG2304 4.4 21.8 1.0
CG A:HIS237 4.5 10.8 1.0
ND1 W:HIS142 4.5 22.5 1.0
CG A:GLU241 4.6 13.9 1.0
ND1 A:HIS115 4.7 17.7 1.0
CG A:HIS115 4.7 16.5 1.0
CG W:HIS142 4.7 20.2 1.0

Manganese binding site 3 out of 48 in 8qav

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Manganese binding site 3 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn301

b:19.4
occ:1.00
OE1 B:GLU145 2.3 17.5 1.0
NE2 B:HIS141 2.4 12.6 1.0
O B:HOH414 2.5 16.0 1.0
NE2 B:HIS213 2.5 12.2 1.0
N3 I:IG2301 2.6 24.7 1.0
NE2 I:HIS238 2.7 9.2 1.0
CD2 B:HIS141 3.3 12.7 1.0
CD B:GLU145 3.3 17.8 1.0
CE1 B:HIS213 3.4 11.5 1.0
CE1 B:HIS141 3.4 9.7 1.0
C6 I:IG2301 3.4 19.7 1.0
C5 I:IG2301 3.5 27.8 1.0
CE1 I:HIS238 3.5 5.9 1.0
CD2 B:HIS213 3.5 11.8 1.0
OE2 B:GLU145 3.7 17.9 1.0
CD2 I:HIS238 3.7 7.2 1.0
CG B:HIS141 4.5 14.1 1.0
ND1 B:HIS141 4.5 12.4 1.0
CG B:GLU145 4.5 16.2 1.0
ND1 B:HIS213 4.5 12.4 1.0
N1 I:IG2301 4.6 25.5 1.0
O B:HOH419 4.6 12.7 1.0
C4 I:IG2301 4.6 31.4 1.0
CG B:HIS213 4.6 10.9 1.0
ND1 I:HIS238 4.7 7.2 1.0
OD2 I:ASP176 4.8 17.1 1.0
CG I:HIS238 4.8 8.3 1.0
CB B:GLU145 4.8 14.8 1.0

Manganese binding site 4 out of 48 in 8qav

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Manganese binding site 4 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn302

b:32.3
occ:1.00
OE1 B:GLU241 2.2 22.2 1.0
NE2 B:HIS237 2.4 15.5 1.0
N1 B:IG2303 2.4 23.3 1.0
NE2 N:HIS142 2.5 26.6 1.0
NE2 B:HIS115 2.6 17.5 1.0
O1 B:IG2303 3.1 29.0 1.0
C4 B:IG2303 3.2 28.7 1.0
CE1 B:HIS237 3.2 13.2 1.0
CE1 N:HIS142 3.2 25.0 1.0
CD B:GLU241 3.3 20.7 1.0
CD2 B:HIS237 3.4 11.8 1.0
C6 B:IG2303 3.4 20.4 1.0
C3 B:IG2303 3.5 30.1 1.0
CD2 B:HIS115 3.5 16.3 1.0
CE1 B:HIS115 3.6 16.4 1.0
OE2 B:GLU241 3.7 25.1 1.0
CD2 N:HIS142 3.7 23.4 1.0
ND1 B:HIS237 4.4 11.6 1.0
C5 B:IG2303 4.4 26.7 1.0
N3 B:IG2303 4.4 21.5 1.0
CG B:HIS237 4.5 10.7 1.0
ND1 N:HIS142 4.5 27.4 1.0
CG B:GLU241 4.6 14.2 1.0
ND1 B:HIS115 4.7 18.1 1.0
CG B:HIS115 4.7 16.5 1.0
CG N:HIS142 4.7 24.8 1.0

Manganese binding site 5 out of 48 in 8qav

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Manganese binding site 5 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn301

b:19.0
occ:1.00
OE1 C:GLU145 2.3 17.1 1.0
NE2 C:HIS141 2.4 12.4 1.0
O C:HOH413 2.5 15.7 1.0
NE2 C:HIS213 2.5 12.2 1.0
N3 F:IG2301 2.6 24.9 1.0
NE2 F:HIS238 2.7 9.6 1.0
CD2 C:HIS141 3.3 12.7 1.0
CD C:GLU145 3.3 17.5 1.0
CE1 C:HIS213 3.4 11.3 1.0
CE1 C:HIS141 3.4 9.4 1.0
C6 F:IG2301 3.4 20.4 1.0
C5 F:IG2301 3.5 28.1 1.0
CE1 F:HIS238 3.5 6.3 1.0
CD2 C:HIS213 3.5 11.8 1.0
OE2 C:GLU145 3.7 17.5 1.0
CD2 F:HIS238 3.7 7.5 1.0
CG C:HIS141 4.5 13.8 1.0
ND1 C:HIS141 4.5 12.2 1.0
CG C:GLU145 4.5 15.9 1.0
ND1 C:HIS213 4.5 12.2 1.0
N1 F:IG2301 4.6 25.7 1.0
O C:HOH418 4.6 12.8 1.0
C4 F:IG2301 4.6 31.9 1.0
CG C:HIS213 4.6 10.7 1.0
ND1 F:HIS238 4.7 7.5 1.0
OD2 F:ASP176 4.8 17.0 1.0
CG F:HIS238 4.8 8.7 1.0
CB C:GLU145 4.8 14.6 1.0

Manganese binding site 6 out of 48 in 8qav

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Manganese binding site 6 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn302

b:31.9
occ:1.00
OE1 C:GLU241 2.2 22.4 1.0
NE2 C:HIS237 2.4 15.6 1.0
N1 C:IG2303 2.4 23.4 1.0
NE2 Q:HIS142 2.5 26.4 1.0
NE2 C:HIS115 2.6 17.6 1.0
O1 C:IG2303 3.1 29.2 1.0
C4 C:IG2303 3.2 28.7 1.0
CE1 C:HIS237 3.2 13.2 1.0
CE1 Q:HIS142 3.2 25.1 1.0
CD C:GLU241 3.3 20.7 1.0
CD2 C:HIS237 3.4 11.9 1.0
C6 C:IG2303 3.4 20.4 1.0
C3 C:IG2303 3.5 29.9 1.0
CD2 C:HIS115 3.5 16.4 1.0
CE1 C:HIS115 3.6 16.2 1.0
OE2 C:GLU241 3.7 25.2 1.0
CD2 Q:HIS142 3.7 23.4 1.0
ND1 C:HIS237 4.4 11.8 1.0
C5 C:IG2303 4.4 26.5 1.0
N3 C:IG2303 4.4 21.5 1.0
CG C:HIS237 4.5 10.8 1.0
ND1 Q:HIS142 4.5 27.3 1.0
CG C:GLU241 4.6 14.1 1.0
ND1 C:HIS115 4.7 17.9 1.0
CG C:HIS115 4.7 16.4 1.0
CG Q:HIS142 4.7 24.5 1.0

Manganese binding site 7 out of 48 in 8qav

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Manganese binding site 7 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn301

b:19.2
occ:1.00
OE1 D:GLU145 2.3 17.0 1.0
NE2 D:HIS141 2.4 12.3 1.0
O D:HOH413 2.5 14.6 1.0
NE2 D:HIS213 2.5 12.1 1.0
N3 S:IG2301 2.6 21.7 1.0
NE2 S:HIS238 2.7 5.9 1.0
CD2 D:HIS141 3.3 12.9 1.0
CD D:GLU145 3.3 17.2 1.0
CE1 D:HIS213 3.4 11.4 1.0
CE1 D:HIS141 3.4 9.6 1.0
C6 S:IG2301 3.4 16.2 1.0
C5 S:IG2301 3.5 25.1 1.0
CE1 S:HIS238 3.5 3.1 1.0
CD2 D:HIS213 3.5 11.9 1.0
OE2 D:GLU145 3.7 17.5 1.0
CD2 S:HIS238 3.7 3.9 1.0
CG D:HIS141 4.5 13.9 1.0
ND1 D:HIS141 4.5 12.5 1.0
CG D:GLU145 4.5 16.2 1.0
ND1 D:HIS213 4.5 12.3 1.0
N1 S:IG2301 4.6 23.4 1.0
O D:HOH418 4.6 12.8 1.0
C4 S:IG2301 4.6 30.0 1.0
CG D:HIS213 4.6 10.9 1.0
ND1 S:HIS238 4.7 3.9 1.0
OD2 S:ASP176 4.8 13.6 1.0
CG S:HIS238 4.8 4.6 1.0
CB D:GLU145 4.8 14.8 1.0

Manganese binding site 8 out of 48 in 8qav

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Manganese binding site 8 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn302

b:31.6
occ:1.00
OE1 D:GLU241 2.2 21.6 1.0
NE2 D:HIS237 2.4 15.7 1.0
N1 D:IG2303 2.4 23.2 1.0
NE2 H:HIS142 2.5 27.0 1.0
NE2 D:HIS115 2.6 17.5 1.0
O1 D:IG2303 3.1 28.6 1.0
C4 D:IG2303 3.2 28.6 1.0
CE1 D:HIS237 3.2 13.2 1.0
CE1 H:HIS142 3.2 25.4 1.0
CD D:GLU241 3.3 20.4 1.0
CD2 D:HIS237 3.4 12.2 1.0
C6 D:IG2303 3.4 20.3 1.0
C3 D:IG2303 3.5 29.6 1.0
CD2 D:HIS115 3.5 16.5 1.0
CE1 D:HIS115 3.6 15.9 1.0
OE2 D:GLU241 3.7 24.6 1.0
CD2 H:HIS142 3.7 23.5 1.0
ND1 D:HIS237 4.4 11.6 1.0
C5 D:IG2303 4.4 26.4 1.0
N3 D:IG2303 4.4 21.5 1.0
CG D:HIS237 4.5 10.9 1.0
ND1 H:HIS142 4.5 27.3 1.0
CG D:GLU241 4.6 14.0 1.0
ND1 D:HIS115 4.7 18.0 1.0
CG D:HIS115 4.7 16.6 1.0
CG H:HIS142 4.7 24.6 1.0
C2 D:IG2303 5.0 35.5 1.0

Manganese binding site 9 out of 48 in 8qav

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Manganese binding site 9 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn301

b:19.4
occ:1.00
OE1 E:GLU145 2.3 16.9 1.0
NE2 E:HIS141 2.4 12.4 1.0
O E:HOH713 2.5 14.7 1.0
NE2 E:HIS213 2.5 12.0 1.0
N3 L:IG2301 2.6 23.7 1.0
NE2 L:HIS238 2.7 9.9 1.0
CD2 E:HIS141 3.3 12.8 1.0
CD E:GLU145 3.3 17.1 1.0
CE1 E:HIS213 3.4 11.3 1.0
CE1 E:HIS141 3.4 9.6 1.0
C6 L:IG2301 3.4 19.5 1.0
C5 L:IG2301 3.5 27.1 1.0
CD2 E:HIS213 3.5 12.0 1.0
CE1 L:HIS238 3.5 6.2 1.0
OE2 E:GLU145 3.7 17.0 1.0
CD2 L:HIS238 3.7 7.3 1.0
CG E:HIS141 4.5 13.8 1.0
ND1 E:HIS141 4.5 12.4 1.0
CG E:GLU145 4.5 16.1 1.0
ND1 E:HIS213 4.5 12.3 1.0
N1 L:IG2301 4.6 26.3 1.0
O E:HOH718 4.6 12.7 1.0
C4 L:IG2301 4.6 31.6 1.0
CG E:HIS213 4.6 10.8 1.0
ND1 L:HIS238 4.7 7.3 1.0
OD2 L:ASP176 4.8 17.3 1.0
CG L:HIS238 4.8 8.4 1.0
CB E:GLU145 4.8 14.6 1.0

Manganese binding site 10 out of 48 in 8qav

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Manganese binding site 10 out of 48 in the Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Medicago Truncatula HISN5 (Igpd) in Complex with Mn and IG2 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn302

b:31.4
occ:1.00
OE1 E:GLU241 2.2 22.1 1.0
NE2 E:HIS237 2.4 15.9 1.0
N1 E:IG2304 2.4 23.3 1.0
NE2 Y:HIS142 2.5 21.8 1.0
NE2 E:HIS115 2.6 17.5 1.0
O1 E:IG2304 3.1 28.8 1.0
C4 E:IG2304 3.2 28.8 1.0
CE1 E:HIS237 3.2 13.1 1.0
CE1 Y:HIS142 3.2 19.8 1.0
CD E:GLU241 3.3 20.4 1.0
CD2 E:HIS237 3.4 12.1 1.0
C6 E:IG2304 3.4 20.2 1.0
C3 E:IG2304 3.5 30.0 1.0
CD2 E:HIS115 3.5 16.4 1.0
CE1 E:HIS115 3.6 16.1 1.0
OE2 E:GLU241 3.7 24.6 1.0
CD2 Y:HIS142 3.7 18.8 1.0
ND1 E:HIS237 4.4 11.8 1.0
C5 E:IG2304 4.4 26.5 1.0
N3 E:IG2304 4.4 21.4 1.0
CG E:HIS237 4.5 10.9 1.0
ND1 Y:HIS142 4.5 22.0 1.0
CG E:GLU241 4.6 13.8 1.0
ND1 E:HIS115 4.7 18.0 1.0
CG E:HIS115 4.7 16.6 1.0
CG Y:HIS142 4.7 19.9 1.0

Reference:

W.Witek, J.Sliwiak, M.Rawski, M.Ruszkowski. Targeting Imidazole-Glycerol Phosphate Dehydratase in Plants: Novel Approach For Structural and Functional Studies, and Inhibitor Blueprinting. Front Plant Sci V. 15 43980 2024.
ISSN: ESSN 1664-462X
PubMed: 38559763
DOI: 10.3389/FPLS.2024.1343980
Page generated: Sun Oct 6 13:38:48 2024

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