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Manganese in PDB 7cwv: Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt

Enzymatic activity of Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt

All present enzymatic activity of Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt:
5.3.1.4;

Protein crystallography data

The structure of Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt, PDB code: 7cwv was solved by N.K.Q.Hoang, I.Dhanasingh, T.P.Cao, J.Y.Sung, S.M.Shin, D.W.Lee, S.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.74 / 3.53
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 85.971, 109.429, 153.854, 98.14, 98.18, 89.97
R / Rfree (%) 22.2 / 33.2

Manganese Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Manganese atom in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt (pdb code 7cwv). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 12 binding sites of Manganese where determined in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt, PDB code: 7cwv:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Manganese binding site 1 out of 12 in 7cwv

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Manganese binding site 1 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


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 Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn501

b:84.1
occ:1.00
 NE2 A:HIS445 1.9 88.3 1.0
OE2 A:GLU302 2.0 143.3 1.0
OE1 A:GLU329 2.1 108.0 1.0
CD A:GLU329 2.7 112.1 1.0
CD2 A:HIS445 2.8 88.6 1.0
CD A:GLU302 2.9 136.5 1.0
CE1 A:HIS445 3.0 91.3 1.0
OE2 A:GLU329 3.1 115.5 1.0
OE1 A:GLU302 3.5 154.2 1.0
CD2 A:HIS444 3.6 87.2 1.0
NE2 A:HIS346 3.6 114.7 1.0
NE2 A:HIS444 3.8 87.8 1.0
CE1 A:HIS346 3.9 121.7 1.0
CG A:GLU329 3.9 111.0 1.0
CG A:GLU302 4.0 120.5 1.0
CG A:HIS445 4.0 91.8 1.0
ND1 A:HIS445 4.1 92.7 1.0
CB A:GLU329 4.5 114.6 1.0
CD2 A:HIS346 4.6 126.6 1.0
CG A:HIS444 4.9 88.0 1.0
CB A:ALA301 4.9 85.5 1.0
ND1 A:HIS346 4.9 129.5 1.0

Manganese binding site 2 out of 12 in 7cwv

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Manganese binding site 2 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


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 Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn501

b:112.3
occ:1.00
 OE2 B:GLU302 2.0 123.7 1.0
OE1 B:GLU329 2.1 132.4 1.0
NE2 B:HIS445 2.3 131.8 1.0
CD B:GLU329 2.7 143.6 1.0
OE2 B:GLU329 2.8 147.4 1.0
CD B:GLU302 2.9 127.6 1.0
CD2 B:HIS445 3.1 125.1 1.0
CE1 B:HIS445 3.3 132.2 1.0
OE1 B:GLU302 3.4 140.2 1.0
NE2 B:HIS346 3.8 119.7 1.0
CD2 B:HIS444 4.1 149.1 1.0
CG B:GLU302 4.1 128.7 1.0
CG B:GLU329 4.2 142.6 1.0
CE1 B:HIS346 4.2 124.3 1.0
CG B:HIS445 4.3 112.6 1.0
ND1 B:HIS445 4.4 121.0 1.0
NE2 B:HIS444 4.4 143.5 1.0
CD2 B:HIS346 4.6 129.7 1.0
CB B:GLU329 4.8 134.2 1.0

Manganese binding site 3 out of 12 in 7cwv

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Manganese binding site 3 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


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 Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn502

b:112.1
occ:1.00
 OE1 C:GLU329 1.7 124.2 1.0
NE2 C:HIS445 2.3 87.5 1.0
OE2 C:GLU302 2.5 175.9 1.0
CD C:GLU329 2.7 140.8 1.0
CE1 A:HIS128 3.0 98.0 1.0
CD C:GLU302 3.1 173.5 1.0
OE1 C:GLU302 3.1 168.9 1.0
CD2 C:HIS445 3.1 82.8 1.0
OE2 C:GLU329 3.2 164.5 1.0
CE1 C:HIS445 3.4 94.5 1.0
NE2 C:HIS346 3.6 97.8 1.0
ND1 A:HIS128 3.6 95.3 1.0
CD2 C:HIS444 3.6 88.5 1.0
NE2 C:HIS444 3.8 87.5 1.0
CG C:GLU329 3.8 136.6 1.0
CE1 C:HIS346 3.9 94.3 1.0
O C:HOH601 4.0 40.4 1.0
NE2 A:HIS128 4.2 103.8 1.0
CG C:HIS445 4.3 80.8 1.0
ND1 C:HIS445 4.4 88.8 1.0
CG C:GLU302 4.4 170.2 1.0
CD2 C:HIS346 4.5 99.5 1.0
CB C:GLU329 4.8 138.6 1.0
CG C:HIS444 4.9 96.3 1.0
ND1 C:HIS346 4.9 100.8 1.0
CG A:HIS128 4.9 91.9 1.0

Manganese binding site 4 out of 12 in 7cwv

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Manganese binding site 4 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


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 Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn501

b:135.6
occ:1.00
 OE2 D:GLU302 2.0 175.2 1.0
OE2 D:GLU329 2.5 163.7 1.0
OE1 D:GLU329 2.9 112.9 1.0
CD D:GLU329 3.0 136.1 1.0
CD D:GLU302 3.1 142.6 1.0
CE1 D:HIS445 3.1 86.0 1.0
OE1 D:GLU302 3.6 125.5 1.0
NE2 D:HIS445 3.8 88.7 1.0
CD2 D:HIS444 3.9 116.9 1.0
ND1 D:HIS445 4.1 93.9 1.0
NE2 D:HIS444 4.1 113.2 1.0
ND1 C:HIS128 4.2 132.5 1.0
CE1 C:HIS128 4.3 130.9 1.0
CG D:GLU302 4.3 126.7 1.0
CG D:GLU329 4.5 129.9 1.0
NE2 D:HIS346 4.6 119.5 1.0
CD2 D:HIS445 4.9 93.7 1.0

Manganese binding site 5 out of 12 in 7cwv

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Manganese binding site 5 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


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 Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mn501

b:115.9
occ:1.00
 NE2 E:HIS445 2.4 125.5 1.0
OE2 E:GLU302 2.5 136.6 1.0
OE2 E:GLU329 2.5 139.2 1.0
OE1 E:GLU329 2.7 111.3 1.0
CD E:GLU329 2.8 123.8 1.0
NE2 E:HIS346 3.1 134.3 1.0
CD E:GLU302 3.3 130.9 1.0
CE1 E:HIS445 3.3 132.1 1.0
CD2 E:HIS445 3.4 121.9 1.0
CE1 E:HIS346 3.6 131.2 1.0
CG E:GLU302 3.7 120.9 1.0
CD2 E:HIS346 4.0 152.9 1.0
CG E:GLU329 4.2 119.3 1.0
OE1 E:GLU302 4.3 123.8 1.0
NE2 E:HIS444 4.4 121.2 1.0
ND1 E:HIS445 4.5 129.3 1.0
CB E:ALA301 4.5 85.2 1.0
CD2 E:HIS444 4.5 118.6 1.0
CG E:HIS445 4.5 114.1 1.0
ND1 E:HIS346 4.5 148.0 1.0
CG E:HIS346 4.8 158.4 1.0
CB E:GLU329 4.8 110.5 1.0

Manganese binding site 6 out of 12 in 7cwv

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Manganese binding site 6 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


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 Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Mn501

b:84.6
occ:1.00
 OE1 F:GLU329 1.8 97.0 1.0
NE2 F:HIS445 1.9 119.4 1.0
CD F:GLU329 2.7 97.5 1.0
NE2 F:HIS346 2.8 97.3 1.0
CD2 F:HIS445 2.8 111.0 1.0
CE1 F:HIS445 3.0 115.0 1.0
OE2 F:GLU329 3.0 81.8 1.0
OE2 F:GLU302 3.1 87.9 1.0
CE1 F:HIS346 3.3 102.9 1.0
CD F:GLU302 3.6 103.8 1.0
CD2 F:HIS346 3.8 108.1 1.0
CG F:GLU302 3.9 102.6 1.0
CG F:HIS445 4.0 96.3 1.0
ND1 F:HIS445 4.0 103.5 1.0
CG F:GLU329 4.1 101.1 1.0
ND1 F:HIS346 4.3 115.8 1.0
NE2 F:HIS444 4.4 88.9 1.0
OE1 F:GLU302 4.4 107.0 1.0
CB F:ALA301 4.4 120.9 1.0
CD2 F:HIS444 4.5 84.3 1.0
CB F:GLU329 4.6 94.9 1.0
CG F:HIS346 4.6 121.0 1.0
CB F:GLU302 4.9 103.9 1.0
CZ F:PHE327 5.0 77.9 1.0

Manganese binding site 7 out of 12 in 7cwv

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Manganese binding site 7 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


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 Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Mn501

b:99.2
occ:1.00
 OE2 G:GLU302 2.3 138.4 1.0
OE1 G:GLU329 2.4 128.6 1.0
CE1 G:HIS445 2.6 107.7 1.0
OE2 G:GLU329 2.7 143.8 1.0
CD G:GLU329 2.8 140.2 1.0
CD G:GLU302 2.9 125.5 1.0
NE2 G:HIS445 3.1 104.1 1.0
NE2 G:HIS444 3.4 100.0 1.0
OE1 G:GLU302 3.4 128.5 1.0
CD2 G:HIS444 3.6 102.1 1.0
ND1 G:HIS445 3.6 110.2 1.0
NE2 G:HIS346 3.8 104.9 1.0
CG G:GLU302 3.9 117.5 1.0
CE1 G:HIS346 4.2 105.6 1.0
CG G:GLU329 4.2 141.3 1.0
CD2 G:HIS445 4.2 100.7 1.0
CG G:HIS445 4.5 96.2 1.0
CE1 G:HIS444 4.7 104.3 1.0
CB G:GLU302 4.8 116.2 1.0
CD2 E:HIS128 4.8 95.5 1.0
CD2 G:HIS346 4.8 115.3 1.0
NE2 E:HIS128 4.9 97.8 1.0
CG G:HIS444 4.9 105.2 1.0

Manganese binding site 8 out of 12 in 7cwv

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Manganese binding site 8 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


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 Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Mn501

b:109.2
occ:1.00
 OE2 H:GLU302 1.6 135.1 1.0
OE1 H:GLU329 2.2 100.7 1.0
OE2 H:GLU329 2.4 94.4 1.0
CD H:GLU329 2.5 107.8 1.0
CD H:GLU302 2.6 138.0 1.0
NE2 H:HIS445 2.6 104.6 1.0
OE1 H:GLU302 3.2 134.8 1.0
CD2 H:HIS445 3.4 100.3 1.0
CE1 H:HIS445 3.6 105.8 1.0
CG H:GLU302 3.7 131.8 1.0
CD2 H:HIS444 4.0 112.7 1.0
CG H:GLU329 4.0 114.0 1.0
NE2 H:HIS444 4.1 121.3 1.0
NE2 H:HIS346 4.2 150.3 1.0
CG H:HIS445 4.6 95.6 1.0
ND1 H:HIS445 4.7 95.2 1.0
CB H:GLU302 4.8 127.6 1.0
CD2 H:HIS346 4.8 141.6 1.0
CB H:GLU329 4.9 120.5 1.0
CE1 H:HIS346 4.9 142.6 1.0

Manganese binding site 9 out of 12 in 7cwv

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Manganese binding site 9 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 9 of Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Mn501

b:112.4
occ:1.00
 NE2 I:HIS445 1.8 87.9 1.0
OE2 I:GLU302 2.4 122.6 1.0
CE1 I:HIS445 2.7 85.6 1.0
OE1 I:GLU329 2.7 115.1 1.0
CD2 I:HIS445 2.9 88.6 1.0
NE2 I:HIS346 3.0 160.0 1.0
CD I:GLU302 3.0 123.7 1.0
OE2 I:GLU329 3.0 123.8 1.0
CD I:GLU329 3.1 119.4 1.0
CE1 I:HIS346 3.3 160.5 1.0
CG I:GLU302 3.6 117.6 1.0
OE1 I:GLU302 3.7 123.6 1.0
ND1 I:HIS445 3.8 85.5 1.0
CG I:HIS445 4.0 86.7 1.0
CD2 I:HIS346 4.0 161.8 1.0
CG I:GLU329 4.2 120.3 1.0
ND1 I:HIS346 4.4 158.2 1.0
CD2 I:HIS444 4.4 93.0 1.0
NE2 I:HIS444 4.5 92.9 1.0
CB I:ALA301 4.5 100.0 1.0
CB I:GLU302 4.7 121.6 1.0
CG I:HIS346 4.8 160.8 1.0
CB I:GLU329 4.8 128.0 1.0

Manganese binding site 10 out of 12 in 7cwv

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Manganese binding site 10 out of 12 in the Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 10 of Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt within 5.0Å range:
probe atom residue distance (Å) B Occ
J:Mn501

b:116.0
occ:1.00
 OE2 J:GLU302 2.2 138.8 1.0
OE1 J:GLU302 2.2 155.3 1.0
CD J:GLU302 2.5 146.1 1.0
OE1 J:GLU329 2.7 116.9 1.0
CE1 J:HIS445 2.8 76.3 1.0
NE2 J:HIS445 3.1 81.4 1.0
CD J:GLU329 3.2 128.4 1.0
NE2 J:HIS444 3.3 121.1 1.0
CD2 J:HIS444 3.3 123.6 1.0
OE2 J:GLU329 3.4 132.3 1.0
ND1 J:HIS445 3.9 79.5 1.0
CG J:GLU302 4.0 141.7 1.0
CG J:GLU329 4.3 124.6 1.0
CD2 J:HIS445 4.3 80.6 1.0
NE2 J:HIS346 4.3 125.7 1.0
CE1 J:HIS444 4.6 126.0 1.0
CG J:HIS444 4.7 110.3 1.0
CG J:HIS445 4.7 70.7 1.0
CE1 J:HIS346 4.7 131.0 1.0
CB J:GLU302 4.8 137.8 1.0

Reference:

N.K.Q.Hoang, I.Dhanasingh, T.P.Cao, J.Y.Sung, S.M.Shin, D.W.Lee, S.H.Lee. Crystal Structure of Arabinose Isomerase From Hyper Thermophilic Bacterium Thermotoga Maritima (Tmai) Wt To Be Published.
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