Magnesium in PDB 9ij6: Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution.

Protein crystallography data

The structure of Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution., PDB code: 9ij6 was solved by V.Viswanathan, A.Kumari, A.Singh, A.Kumar, P.Sharma, S.Chopra, J.Jeyakanthan, S.Sharma, C.I.Raje, T.P.Singh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 83.65 / 2.40
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 147.578, 167.012, 155.058, 90, 90, 90
R / Rfree (%) 17 / 22

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution. (pdb code 9ij6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution., PDB code: 9ij6:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in 9ij6

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Magnesium binding site 1 out of 5 in the Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution.


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 the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:55.7
occ:1.00
 O D:HOH611 2.5 65.9 1.0
O A:HOH562 2.7 63.7 1.0
O D:HOH506 2.8 53.8 0.5
O B:HOH515 2.9 47.2 1.0
MG B:MG403 3.0 57.0 1.0
O A:HOH581 3.3 38.2 1.0
O D:HOH521 3.3 46.3 1.0
O A:GLY212 3.5 40.1 1.0
O D:HOH603 3.5 30.8 1.0
O A:PRO245 4.0 53.8 1.0
O D:GLY212 4.1 43.6 1.0
CA A:GLY212 4.2 37.6 1.0
C A:GLY212 4.3 37.1 1.0
CB A:PRO245 4.3 45.1 1.0
CA D:GLY212 4.6 45.4 1.0
O D:PRO245 4.7 54.6 1.0
C D:GLY212 4.8 40.9 1.0
NE2 A:GLN213 4.8 50.5 1.0
NE2 D:GLN213 4.8 48.8 1.0
O A:HOH549 4.8 25.5 0.5
O D:HOH636 4.9 50.8 1.0
CB D:PRO245 4.9 43.1 1.0

Magnesium binding site 2 out of 5 in 9ij6

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Magnesium binding site 2 out of 5 in the Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution.


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 the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg404

b:56.3
occ:1.00
 O C:HOH688 2.8 49.3 1.0
O C:HOH610 3.1 47.8 1.0
N C:VAL264 3.2 44.0 1.0
CG2 C:VAL264 3.6 45.2 1.0
CB C:THR263 3.7 47.5 1.0
CA C:THR263 3.7 45.9 1.0
CB C:VAL264 3.9 45.2 1.0
C C:THR263 4.0 45.9 1.0
CA C:VAL264 4.1 45.5 1.0
CB C:VAL311 4.2 46.7 1.0
CG2 C:THR263 4.4 47.8 1.0
CG2 C:VAL311 4.5 47.3 1.0
O C:HOH605 4.7 38.2 1.0
CG1 C:VAL311 4.7 49.7 1.0
OG1 C:THR263 4.8 45.6 1.0
N C:HIS265 5.0 43.0 1.0

Magnesium binding site 3 out of 5 in 9ij6

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Magnesium binding site 3 out of 5 in the Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution.


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 the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:57.0
occ:1.00
 O D:HOH611 2.4 65.9 1.0
O A:HOH562 2.7 63.7 1.0
O B:HOH515 2.8 47.2 1.0
MG A:MG403 3.0 55.7 1.0
O D:HOH521 3.1 46.3 1.0
O B:HOH571 3.4 35.4 1.0
O C:HOH636 3.5 35.2 1.0
O C:GLY212 3.7 36.5 1.0
O B:GLY212 3.8 31.9 1.0
O D:HOH506 4.1 53.8 0.5
O B:PRO245 4.4 52.0 1.0
O C:PRO245 4.4 57.4 1.0
CA C:GLY212 4.4 40.0 1.0
CA B:GLY212 4.5 34.4 1.0
C C:GLY212 4.5 38.3 1.0
C B:GLY212 4.6 34.3 1.0
CB B:PRO245 4.6 43.9 1.0
CB C:PRO245 4.6 40.5 1.0
O B:HOH585 4.8 54.2 1.0
NE2 B:GLN213 4.8 44.8 1.0
NE2 C:GLN213 4.8 39.9 1.0
O C:HOH626 4.9 50.1 1.0
O A:HOH549 4.9 25.5 0.5

Magnesium binding site 4 out of 5 in 9ij6

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Magnesium binding site 4 out of 5 in the Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution.


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 the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg403

b:60.5
occ:1.00
 O D:HOH639 3.0 41.6 1.0
N D:VAL264 3.6 46.4 1.0
N D:HIS265 3.6 50.8 1.0
O D:HOH610 3.7 65.1 1.0
CB D:VAL264 3.8 43.4 1.0
CB D:THR263 3.8 45.9 1.0
CB D:HIS265 4.0 72.7 1.0
CA D:VAL264 4.1 45.4 1.0
OG1 D:THR263 4.2 46.4 1.0
C D:VAL264 4.4 45.7 1.0
C D:THR263 4.4 48.0 1.0
CA D:HIS265 4.4 58.1 1.0
CA D:THR263 4.5 46.3 1.0
CG2 D:VAL264 4.6 42.5 1.0
CG1 D:VAL264 4.7 44.4 1.0
CG2 D:THR263 4.8 40.1 1.0
O D:HOH593 4.8 53.2 1.0

Magnesium binding site 5 out of 5 in 9ij6

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Magnesium binding site 5 out of 5 in the Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution.


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 the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg404

b:52.5
occ:1.00
 OE1 D:GLN74 2.8 66.2 1.0
N D:GLN77 3.5 53.6 1.0
CD D:GLN74 3.7 69.0 1.0
O D:HOH552 4.0 54.9 1.0
N D:ASN76 4.0 45.0 1.0
CA D:GLN77 4.0 54.7 1.0
CG D:GLN74 4.1 63.6 1.0
CA D:SER75 4.2 41.3 1.0
C D:SER75 4.2 42.5 1.0
N D:SER75 4.4 39.4 1.0
C D:ASN76 4.6 47.7 1.0
CA D:ASN76 4.7 47.0 1.0
CG D:GLN77 4.7 71.3 1.0
NE2 D:GLN74 4.8 64.5 1.0
C D:GLN74 4.9 43.1 1.0
CB D:GLN77 4.9 62.1 1.0
O D:SER75 4.9 40.5 1.0

Reference:

V.Viswanathan, A.Kumari, A.Singh, A.Kumar, P.Sharma, S.Chopra, J.Jeyakanthan, S.Sharma, C.I.Raje, T.P.Singh. Crystal Structure of the Complex of Erythrose-4-Phosphate Dehydrogenase From Acinetobacter Baumannii with Adenosine Phosphate at 2.40 A Resolution. To Be Published.
Page generated: Sat Oct 5 09:36:30 2024

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