Magnesium in PDB 1l7n: Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)

All present enzymatic activity of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex):
3.1.3.3;

The structure of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex), PDB code: 1l7n was solved by W.Wang, H.S.Cho, R.Kim, J.Jancarik, H.Yokota, H.H.Nguyen, I.V.Grigoriev, D.E.Wemmer, S.H.Kim, Berkeley Structural Genomics Center (Bsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.80
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.195, 70.576, 90.831, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 22.5

The structure of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) also contains other interesting chemical elements:

Fluorine	(F)	14 atoms
Aluminium	(Al)	4 atoms

The binding sites of Magnesium atom in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) (pdb code 1l7n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex), PDB code: 1l7n:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg221 b:20.9 occ:1.00 F3 A:AF3219 1.9 24.8 0.4 F4 A:ALF220 2.0 14.7 0.6 OD2 A:ASP11 2.1 21.6 1.0 O A:HOH863 2.1 19.4 1.0 O A:HOH895 2.1 17.0 1.0 OD2 A:ASP167 2.2 20.5 1.0 O A:ASP13 2.2 16.7 1.0 CG A:ASP11 3.1 19.4 1.0 CG A:ASP167 3.1 19.7 1.0 OD1 A:ASP167 3.3 22.2 1.0 C A:ASP13 3.4 15.6 1.0 OD1 A:ASP11 3.4 20.0 1.0 AL A:AF3219 3.4 24.4 0.4 AL A:ALF220 3.4 19.1 0.6 F1 A:ALF220 3.5 15.4 0.6 CA A:ASP13 4.1 16.1 1.0 CB A:ASP13 4.2 14.4 1.0 F2 A:ALF220 4.2 15.7 0.6 O A:HOH914 4.2 17.4 1.0 F2 A:AF3219 4.3 22.7 0.4 OE2 A:GLU20 4.3 19.5 1.0 N A:ASP13 4.3 13.8 1.0 CB A:SER14 4.3 17.8 1.0 OG1 A:THR15 4.3 17.2 1.0 OD2 A:ASP171 4.3 17.2 1.0 CB A:ASP11 4.4 17.9 1.0 N A:SER14 4.4 15.9 1.0 CB A:ASP167 4.5 18.3 1.0 SE A:MSE43 4.5 24.8 1.0 O A:HOH801 4.6 23.8 1.0 N A:GLY168 4.6 16.8 1.0 F1 A:AF3219 4.7 24.1 0.4 CA A:SER14 4.7 16.8 1.0 N A:ASP167 4.7 16.7 1.0 N A:THR15 4.8 16.4 1.0 C A:PHE12 4.8 13.8 1.0 C A:SER14 4.9 17.1 1.0 CA A:ASP167 5.0 17.3 1.0 C A:ASP167 5.0 17.0 1.0

Magnesium binding site 2 out of 2 in the Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Transition State Analogue of Phosphoserine Phosphatase (Aluminum Fluoride Complex) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg721 b:17.5 occ:1.00 F1 B:AF3719 1.8 26.6 0.4 F1 B:ALF720 1.8 14.3 0.6 OD2 B:ASP511 2.0 19.8 1.0 O B:HOH1008 2.1 23.2 1.0 OD2 B:ASP667 2.2 19.3 1.0 O B:HOH877 2.2 16.4 1.0 O B:ASP513 2.3 14.6 1.0 CG B:ASP511 2.9 17.8 1.0 CG B:ASP667 3.1 20.7 1.0 OD1 B:ASP511 3.2 18.1 1.0 AL B:ALF720 3.3 17.3 0.6 AL B:AF3719 3.4 25.3 0.4 C B:ASP513 3.4 13.8 1.0 F3 B:ALF720 3.4 14.3 0.6 OD1 B:ASP667 3.5 21.8 1.0 CA B:ASP513 4.1 13.7 1.0 F4 B:ALF720 4.1 16.0 0.6 CB B:ASP513 4.1 13.6 1.0 N B:ASP513 4.2 12.6 1.0 OG1 B:THR515 4.2 15.8 1.0 CB B:ASP511 4.2 15.0 1.0 F3 B:AF3719 4.3 23.9 0.4 CB B:SER514 4.3 16.6 1.0 O B:HOH864 4.3 16.7 1.0 OD2 B:ASP671 4.3 16.3 1.0 OE2 B:GLU520 4.3 21.3 1.0 N B:SER514 4.4 15.1 1.0 CB B:ASP667 4.5 17.3 1.0 SE B:MSE543 4.5 23.7 1.0 O B:HOH802 4.5 23.5 1.0 N B:GLY668 4.6 16.8 1.0 F2 B:AF3719 4.6 26.5 0.4 N B:ASP667 4.6 15.0 1.0 CA B:SER514 4.7 15.5 1.0 N B:THR515 4.7 15.2 1.0 C B:PHE512 4.8 12.8 1.0 C B:SER514 4.9 15.8 1.0 CA B:ASP667 4.9 16.2 1.0 N B:PHE512 5.0 13.2 1.0 CB B:THR515 5.0 14.3 1.0

W.Wang, H.S.Cho, R.Kim, J.Jancarik, H.Yokota, H.H.Nguyen, I.V.Grigoriev, D.E.Wemmer, S.H.Kim. Structural Characterization of the Reaction Pathway in Phosphoserine Phosphatase: Crystallographic "Snapshots" of Intermediate States. J.Mol.Biol. V. 319 421 2002.
ISSN: ISSN 0022-2836
PubMed: 12051918
DOI: 10.1016/S0022-2836(02)00324-8