Magnesium in PDB 4hxe: Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed)

All present enzymatic activity of Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed):
3.4.19.1;

The structure of Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed), PDB code: 4hxe was solved by E.Tichy-Racs, B.Hornung, K.Radi, D.K.Menyhard, A.Kiss-Szeman, Z.Szeltner, K.Domokos, I.Szamosi, G.Naray-Szabo, L.Polgar, V.Harmat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.78 / 1.91
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	183.000, 183.000, 144.630, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 21

The binding sites of Magnesium atom in the Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed) (pdb code 4hxe). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed), PDB code: 4hxe:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg701 b:31.8 occ:1.00 OD2 B:ASP244 2.1 27.6 1.0 O B:HOH834 2.1 17.1 1.0 OE2 B:GLU263 2.2 17.6 1.0 O B:HOH936 2.2 25.1 1.0 O B:HOH887 2.2 20.7 1.0 O B:HOH902 2.3 25.2 1.0 CD B:GLU263 3.0 18.3 1.0 CG B:ASP244 3.1 21.2 1.0 OE1 B:GLU263 3.4 18.6 1.0 CB B:ASP244 3.8 17.7 1.0 OD1 B:ASP244 4.1 21.1 1.0 N B:ASP244 4.1 16.2 1.0 O B:GLU242 4.1 15.5 1.0 CG B:GLU263 4.2 17.6 1.0 O B:HOH1180 4.2 29.1 1.0 NZ B:LYS389 4.3 14.4 1.0 OH B:TYR232 4.4 20.0 1.0 NZ B:LYS237 4.4 18.0 1.0 O B:HOH1088 4.5 38.3 1.0 O B:HOH1194 4.5 38.9 1.0 CA B:ASP244 4.6 17.8 1.0 O B:VAL240 4.6 14.8 1.0

Magnesium binding site 2 out of 3 in the Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg702 b:28.9 occ:1.00 O B:HOH911 2.1 19.8 1.0 O B:HOH858 2.1 21.3 1.0 O B:HOH1040 2.1 27.7 1.0 O B:HOH937 2.1 23.8 1.0 O B:HOH904 2.2 22.2 1.0 OD1 B:ASP424 2.2 24.7 1.0 CG B:ASP424 3.2 23.2 1.0 OD2 B:ASP424 3.4 28.1 1.0 O1 B:HEZ705 3.8 43.6 1.0 O B:HOH891 4.1 16.8 1.0 OE1 B:GLU423 4.2 19.4 1.0 CB B:ASP424 4.5 20.1 1.0 N B:ASP424 4.7 17.4 1.0 CA B:ASP424 4.8 18.6 1.0 C1 B:HEZ705 4.8 40.4 1.0

Magnesium binding site 3 out of 3 in the Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Pyrococcus Horikoshii Acylaminoacyl Peptidase (Uncomplexed) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg703 b:16.2 occ:1.00 O B:HOH1037 2.0 16.5 1.0 O B:LYS99 2.1 16.4 1.0 OE1 B:GLU162 2.1 18.1 1.0 O B:HOH875 2.1 13.7 1.0 O B:HOH1039 2.1 10.9 1.0 O B:HOH1038 2.1 10.5 1.0 CD B:GLU162 3.1 18.1 1.0 C B:LYS99 3.3 17.8 1.0 OE2 B:GLU162 3.4 17.6 1.0 N B:VAL100 4.2 17.0 1.0 CA B:LYS99 4.2 18.8 1.0 CA B:VAL100 4.3 18.6 1.0 N B:LYS99 4.4 17.2 1.0 CB B:LYS99 4.4 20.8 1.0 CG B:GLU162 4.4 17.0 1.0 O B:VAL100 4.6 23.7 1.0 C B:VAL100 4.7 20.4 1.0 CB B:GLU162 4.8 15.5 1.0

D.K.Menyhard, A.Kiss-Szeman, E.Tichy-Racs, B.Hornung, K.Radi, Z.Szeltner, K.Domokos, I.Szamosi, G.Naray-Szabo, L.Polgar, V.Harmat. A Self-Compartmentalizing Hexamer Serine Protease From Pyrococcus Horikoshii: Substrate Selection Achieved Through Multimerization. J.Biol.Chem. V. 288 17884 2013.
ISSN: ISSN 0021-9258
PubMed: 23632025
DOI: 10.1074/JBC.M113.451534