Magnesium in PDB 1k9y: The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate

All present enzymatic activity of The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate:
3.1.3.7;

The structure of The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate, PDB code: 1k9y was solved by S.Patel, A.Albert, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	67.42 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.693, 45.075, 71.794, 90.00, 110.96, 90.00
R / Rfree (%)	15.6 / 20.3

The binding sites of Magnesium atom in the The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate (pdb code 1k9y). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate, PDB code: 1k9y:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:15.0 occ:1.00 OE1 A:GLU72 2.0 16.2 1.0 OD1 A:ASP142 2.0 11.2 1.0 O A:ILE144 2.1 12.8 1.0 O3 A:PO4502 2.1 14.1 1.0 O A:HOH504 2.2 10.1 1.0 O2 A:PO4502 2.2 15.4 1.0 P A:PO4502 2.8 19.4 1.0 CG A:ASP142 3.0 14.7 1.0 C A:ILE144 3.1 11.5 1.0 CD A:GLU72 3.1 15.2 1.0 OD2 A:ASP142 3.3 13.5 1.0 OE2 A:GLU72 3.6 12.9 1.0 N A:ASP145 3.7 10.3 1.0 MG A:MG402 3.7 19.8 1.0 O1 A:PO4502 3.8 16.9 1.0 CA A:ASP145 3.8 11.0 1.0 MG A:MG403 3.9 20.7 1.0 O4 A:PO4502 3.9 17.4 1.0 OG1 A:THR147 4.1 15.1 1.0 O A:HOH588 4.1 25.6 1.0 N A:ILE144 4.1 12.8 1.0 CA A:ILE144 4.1 11.9 1.0 OD2 A:ASP49 4.2 15.1 1.0 OE2 A:GLU73 4.2 14.8 1.0 CB A:ASP142 4.3 12.4 1.0 CG A:GLU72 4.4 16.8 1.0 CD A:PRO143 4.5 12.2 1.0 CB A:GLU72 4.6 14.2 1.0 O A:HOH584 4.6 14.7 1.0 CA A:ASP142 4.6 12.9 1.0 N A:PRO143 4.7 12.1 1.0 C A:ASP142 4.7 13.6 1.0 CB A:ASP145 4.7 11.3 1.0 C A:ASP145 4.8 12.2 1.0 CB A:ILE144 4.8 14.0 1.0 O3' A:AMP501 4.8 22.5 1.0 OD1 A:ASP145 4.8 14.0 1.0 N A:GLY146 4.9 14.6 1.0 CG A:PRO143 4.9 13.8 1.0

Magnesium binding site 2 out of 3 in the The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:20.7 occ:1.00 O1 A:PO4502 2.0 16.9 1.0 O A:HOH707 2.0 17.6 1.0 OE2 A:GLU72 2.1 12.9 1.0 O A:HOH704 2.1 14.2 1.0 O A:HOH584 2.3 14.7 1.0 O2 A:PO4502 2.4 15.4 1.0 P A:PO4502 2.7 19.4 1.0 CD A:GLU72 3.2 15.2 1.0 OE1 A:GLU72 3.6 16.2 1.0 O3 A:PO4502 3.8 14.1 1.0 O4 A:PO4502 3.8 17.4 1.0 NZ A:LYS39 3.9 15.7 1.0 MG A:MG401 3.9 15.0 1.0 O A:PRO44 4.0 16.2 1.0 OE2 A:GLU73 4.1 14.8 1.0 O A:HOH588 4.2 25.6 1.0 O A:HOH581 4.2 19.1 1.0 CE A:LYS39 4.3 20.3 1.0 OG A:SER43 4.3 16.4 1.0 OG1 A:THR147 4.3 15.1 1.0 CG A:GLU72 4.4 16.8 1.0 O A:HOH504 4.5 10.1 1.0 CB A:SER43 4.7 17.2 1.0 O A:HOH641 4.8 40.1 1.0 CB A:THR147 4.9 11.9 1.0 O3' A:AMP501 4.9 22.5 1.0

Magnesium binding site 3 out of 3 in the The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Papase HAL2P Complexed with Magnesium Ions and Reaction Products: Amp and Inorganic Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:19.8 occ:1.00 OD1 A:ASP294 2.0 17.0 1.0 O3 A:PO4502 2.0 14.1 1.0 O3' A:AMP501 2.1 22.5 1.0 OD2 A:ASP142 2.1 13.5 1.0 OD1 A:ASP145 2.1 14.0 1.0 O A:HOH588 2.5 25.6 1.0 CG A:ASP294 3.1 12.6 1.0 CG A:ASP145 3.1 15.3 1.0 P A:PO4502 3.2 19.4 1.0 CG A:ASP142 3.2 14.7 1.0 C3' A:AMP501 3.4 35.4 1.0 OD2 A:ASP294 3.5 16.7 1.0 CB A:ASP145 3.7 11.3 1.0 CA A:ASP145 3.7 11.0 1.0 O1 A:PO4502 3.7 16.9 1.0 MG A:MG401 3.7 15.0 1.0 OD1 A:ASP142 3.8 11.2 1.0 O4 A:PO4502 3.8 17.4 1.0 O2' A:AMP501 4.0 35.7 1.0 C4' A:AMP501 4.0 36.5 1.0 OD2 A:ASP145 4.1 12.7 1.0 CD1 A:TRP293 4.2 14.1 1.0 OE1 A:GLU72 4.3 16.2 1.0 N A:GLY146 4.3 14.6 1.0 C2' A:AMP501 4.3 32.9 1.0 CB A:ASP294 4.3 14.8 1.0 NE1 A:TRP293 4.4 12.7 1.0 O2 A:PO4502 4.4 15.4 1.0 C5' A:AMP501 4.4 38.9 1.0 CB A:ASP142 4.5 12.4 1.0 C A:ASP145 4.5 12.2 1.0 CA A:ASP294 4.6 14.7 1.0 O A:HOH529 4.6 17.2 1.0 O A:ILE144 4.7 12.8 1.0 N A:ASP145 4.8 10.3 1.0 CD A:GLU72 5.0 15.2 1.0

S.Patel, M.Martinez-Ripoll, T.L.Blundell, A.Albert. Structural Enzymology of Li(+)-Sensitive/Mg(2+)-Dependent Phosphatases. J.Mol.Biol. V. 320 1087 2002.
ISSN: ISSN 0022-2836
PubMed: 12126627
DOI: 10.1016/S0022-2836(02)00564-8