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Magnesium in PDB 2ox6: Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1

Protein crystallography data

The structure of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1, PDB code: 2ox6 was solved by R.Zhang, L.Bigelow, S.Giuliani, A.Joachimiak, Midwest Center Forstructural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.71 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.068, 88.680, 117.527, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 23.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 (pdb code 2ox6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 10 binding sites of Magnesium where determined in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1, PDB code: 2ox6:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Magnesium binding site 1 out of 10 in 2ox6

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Magnesium binding site 1 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg167

b:20.5
occ:1.00
 O A:HOH249 2.1 45.1 1.0
ND1 A:HIS32 2.2 28.1 1.0
O A:HOH349 2.4 32.9 1.0
O A:HOH376 2.4 47.9 1.0
OE1 A:GLU36 2.5 28.4 1.0
CE1 A:HIS32 2.9 29.0 1.0
CD A:GLU36 3.0 26.7 1.0
OE2 A:GLU36 3.1 33.4 1.0
O A:HOH348 3.4 75.6 1.0
CG A:HIS32 3.4 27.2 1.0
CB A:HIS32 3.9 26.9 1.0
CA A:HIS32 4.0 26.4 1.0
O A:ASN31 4.1 28.6 1.0
O A:HOH388 4.1 61.7 1.0
NE2 A:HIS32 4.1 27.8 1.0
CG A:GLU36 4.2 24.9 1.0
O A:HOH244 4.2 37.0 1.0
CD2 A:HIS32 4.4 27.7 1.0
O A:HOH317 4.5 46.5 1.0
CB A:GLU36 4.6 24.2 1.0
C A:ASN31 4.9 28.2 1.0
N A:SER33 5.0 25.1 1.0
N A:HIS32 5.0 27.4 1.0

Magnesium binding site 2 out of 10 in 2ox6

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Magnesium binding site 2 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg168

b:54.2
occ:1.00
 OD2 A:ASP57 2.3 31.0 1.0
CG A:ASP57 3.1 25.8 1.0
OD1 A:ASP57 3.3 26.7 1.0
CB A:ASP57 4.5 25.0 1.0
CB A:LYS53 5.0 26.8 1.0

Magnesium binding site 3 out of 10 in 2ox6

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Magnesium binding site 3 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg169

b:19.9
occ:1.00
 OE2 A:GLU123 2.4 34.1 1.0
O A:HOH314 2.4 53.4 1.0
OE1 A:GLU123 2.6 30.9 1.0
CD A:GLU123 2.8 30.6 1.0
O A:HOH333 3.1 49.2 1.0
CG2 A:VAL127 4.1 26.8 1.0
CG A:GLU123 4.3 25.2 1.0
O A:HOH266 4.5 32.6 1.0
O A:HOH306 4.7 53.3 1.0
CD2 A:LEU67 4.8 35.6 1.0

Magnesium binding site 4 out of 10 in 2ox6

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Magnesium binding site 4 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg167

b:11.4
occ:1.00
 O B:HOH368 2.3 31.7 1.0
OD2 B:ASP71 2.6 26.6 1.0
O B:HOH219 2.8 32.9 1.0
OD1 B:ASP71 2.8 28.2 1.0
O B:HOH369 3.1 39.5 1.0
CG B:ASP71 3.1 25.9 1.0
O B:HOH295 3.2 36.7 1.0
CB B:ASP71 4.6 24.3 1.0
O B:HOH228 4.7 39.8 1.0
O B:HOH294 4.9 44.6 1.0
O B:HOH177 5.0 28.3 1.0

Magnesium binding site 5 out of 10 in 2ox6

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Magnesium binding site 5 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg167

b:23.4
occ:1.00
 OE2 C:GLU74 2.5 41.6 1.0
O C:HOH258 2.7 38.7 1.0
CD C:GLU74 3.3 38.9 1.0
O C:HOH268 3.5 45.0 1.0
OE1 C:GLU74 3.5 39.5 1.0
O C:HOH284 4.5 56.9 1.0
CG C:GLU74 4.7 35.5 1.0
CD2 C:LEU128 4.9 28.8 1.0

Magnesium binding site 6 out of 10 in 2ox6

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Magnesium binding site 6 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 6 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg168

b:15.1
occ:1.00
 NE2 C:HIS84 2.0 31.6 1.0
CE1 C:HIS84 2.9 30.4 1.0
CD2 C:HIS84 3.1 29.1 1.0
ND1 C:HIS84 4.0 28.9 1.0
CG C:HIS84 4.2 29.0 1.0
CB C:ASP131 4.2 27.5 1.0
O C:HOH363 4.2 37.5 1.0
OD2 C:ASP131 4.3 36.8 1.0
CG C:ASP131 4.7 30.4 1.0

Magnesium binding site 7 out of 10 in 2ox6

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Magnesium binding site 7 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 7 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg169

b:15.4
occ:1.00
 OE1 C:GLU129 2.3 24.9 1.0
OE2 C:GLU129 2.4 30.2 1.0
O C:HOH252 2.5 38.9 1.0
CD C:GLU129 2.6 26.0 1.0
CG C:GLU129 4.1 25.5 1.0
CB C:GLU129 4.9 24.8 1.0

Magnesium binding site 8 out of 10 in 2ox6

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Magnesium binding site 8 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 8 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg170

b:20.5
occ:1.00
 OE2 C:GLU123 2.2 34.9 1.0
O C:HOH288 2.4 49.7 1.0
CD C:GLU123 2.9 31.5 1.0
OE1 C:GLU123 3.0 30.6 1.0
CG1 C:VAL127 4.3 29.6 1.0
CG C:GLU123 4.4 29.2 1.0
CD2 C:LEU67 4.8 39.8 1.0

Magnesium binding site 9 out of 10 in 2ox6

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Magnesium binding site 9 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 9 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg167

b:10.5
occ:1.00
 OE2 D:GLU123 2.2 20.0 1.0
CD D:GLU123 2.8 20.0 1.0
OE1 D:GLU123 2.9 20.0 1.0
O D:HOH321 3.7 51.0 1.0
O D:HOH255 4.1 35.2 1.0
CG2 D:VAL127 4.2 30.1 1.0
CG D:GLU123 4.3 20.0 1.0
O D:HOH315 4.7 36.8 1.0
CD2 D:LEU67 4.8 33.5 1.0

Magnesium binding site 10 out of 10 in 2ox6

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Magnesium binding site 10 out of 10 in the Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 10 of Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg168

b:9.9
occ:1.00
 OD2 D:ASP71 2.2 26.7 1.0
O D:HOH170 2.4 23.0 1.0
OD1 D:ASP71 2.9 27.9 1.0
CG D:ASP71 3.0 27.9 1.0
O D:HOH255 4.0 35.2 1.0
O D:HOH256 4.1 32.5 1.0
O D:HOH290 4.2 48.5 1.0
CB D:ASP71 4.5 27.3 1.0
O D:LEU67 4.5 28.9 1.0
CB D:LEU67 4.8 28.9 1.0

Reference:

R.Zhang, L.Bigelow, S.Giuliani, A.Joachimiak. The Crystal Structure of Gene Product SO3848 From Shewanella Oneidensis Mr-1 To Be Published.
Page generated: Mon Dec 14 07:33:50 2020

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