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Magnesium in PDB 2rcy: Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound

Enzymatic activity of Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound

All present enzymatic activity of Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound:
1.5.1.2;

Protein crystallography data

The structure of Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound, PDB code: 2rcy was solved by A.K.Wernimont, J.Lew, Y.H.Lin, H.Ren, X.Sun, C.Khuu, A.Hassanali, G.Wasney, Y.Zhao, I.Kozieradzki, M.Schapira, A.Bochkarev, J.Weigelt, M.Sundstrom, C.H.Arrowsmith, A.M.Edwards, R.Hui, J.D.Artz, M.Amani, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.27 / 2.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 160.207, 113.741, 82.651, 90.00, 105.71, 90.00
R / Rfree (%) 24.5 / 28.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound (pdb code 2rcy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound, PDB code: 2rcy:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2rcy

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Magnesium binding site 1 out of 4 in the Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound


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 Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg263

b:23.8
occ:1.00
 CA A:LYS203 3.5 31.0 1.0
CA E:LYS203 3.5 31.0 1.0
CG2 A:VAL206 3.6 34.0 1.0
CB A:VAL206 3.9 34.0 1.0
CG2 E:VAL206 3.9 33.9 1.0
N A:LYS203 3.9 30.6 1.0
N E:LYS203 4.0 30.6 1.0
O A:ILE202 4.0 30.2 1.0
CB E:VAL206 4.0 34.0 1.0
O E:ILE202 4.1 30.2 1.0
C A:ILE202 4.2 30.2 1.0
C E:ILE202 4.2 30.2 1.0
CB A:LYS203 4.2 30.9 1.0
CB E:LYS203 4.2 31.0 1.0
CG2 A:ILE202 4.3 29.9 1.0
CG1 A:VAL206 4.3 34.0 1.0
CG2 E:ILE202 4.3 29.9 1.0
CG1 E:VAL206 4.4 33.9 1.0
CG E:LYS203 4.4 31.1 1.0
O A:LYS203 4.5 31.3 1.0
C A:LYS203 4.5 31.2 1.0
O E:LYS203 4.5 31.2 1.0
C E:LYS203 4.5 31.1 1.0
CG A:LYS203 4.6 31.2 1.0

Magnesium binding site 2 out of 4 in 2rcy

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Magnesium binding site 2 out of 4 in the Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound


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 Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg263

b:28.1
occ:1.00
 CA C:LYS203 3.4 31.1 1.0
CA B:LYS203 3.5 31.0 1.0
CG2 C:VAL206 3.8 34.0 1.0
CB C:VAL206 3.8 34.0 1.0
N B:LYS203 4.0 30.6 1.0
N C:LYS203 4.1 30.6 1.0
CB C:LYS203 4.1 31.1 1.0
CG C:LYS203 4.1 31.3 1.0
CB B:LYS203 4.1 31.0 1.0
CG1 C:VAL206 4.1 33.9 1.0
O C:ILE202 4.2 30.3 1.0
O C:LYS203 4.2 31.3 1.0
CG2 B:VAL206 4.2 34.0 1.0
CG B:LYS203 4.2 31.2 1.0
CB B:VAL206 4.2 34.0 1.0
O B:ILE202 4.3 30.3 1.0
C C:LYS203 4.3 31.3 1.0
C B:ILE202 4.4 30.3 1.0
C C:ILE202 4.4 30.2 1.0
O B:LYS203 4.4 31.1 1.0
C B:LYS203 4.4 31.2 1.0
CG1 B:VAL206 4.6 33.8 1.0
CG2 B:ILE202 4.6 29.9 1.0
CG2 C:ILE202 4.8 30.0 1.0

Magnesium binding site 3 out of 4 in 2rcy

Go back to Magnesium Binding Sites List in 2rcy
Magnesium binding site 3 out of 4 in the Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound


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 Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg263

b:56.0
occ:1.00
 O D:HOH338 3.3 41.7 1.0
O D:ILE29 4.4 53.9 1.0
N D:LEU34 4.5 51.2 1.0
O D:HOH337 4.6 36.4 1.0
C D:ILE29 5.0 53.8 1.0

Magnesium binding site 4 out of 4 in 2rcy

Go back to Magnesium Binding Sites List in 2rcy
Magnesium binding site 4 out of 4 in the Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound


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 Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Mg263

b:54.1
occ:1.00
 N E:LEU34 4.3 51.2 1.0

Reference:

A.K.Wernimont, J.Lew, Y.H.Lin, H.Ren, X.Sun, C.Khuu, A.Hassanali, Y.Zhao, I.Kozieradzki, M.Schapira, A.Bochkarev, J.Weigelt, M.Sundstrom, C.H.Arrowsmith, A.M.Edwards, R.Hui, J.D.Artz, M.Amani. Crystal Structure of Plasmodium Falciparum Pyrroline Carboxylate Reductase (MAL13P1.284) with Nadp Bound. To Be Published.
Page generated: Mon Dec 14 07:38:18 2020

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