Magnesium in PDB 3ncq: GLNK2 From Archaeoglobus Fulgidus, Atp Complex

The structure of GLNK2 From Archaeoglobus Fulgidus, Atp Complex, PDB code: 3ncq was solved by S.Helfmann, W.Lue, C.Litz, S.L.A.Andrade, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.30 / 1.24
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	121.663, 121.663, 124.582, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.8

The structure of GLNK2 From Archaeoglobus Fulgidus, Atp Complex also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Magnesium atom in the GLNK2 From Archaeoglobus Fulgidus, Atp Complex (pdb code 3ncq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the GLNK2 From Archaeoglobus Fulgidus, Atp Complex, PDB code: 3ncq:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the GLNK2 From Archaeoglobus Fulgidus, Atp Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of GLNK2 From Archaeoglobus Fulgidus, Atp Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg122 b:48.1 occ:0.50 O1B A:ATP201 1.8 20.6 1.0 O1A A:ATP201 1.8 20.3 1.0 O B:HOH142 1.8 35.5 1.0 O2G A:ATP201 2.2 39.7 1.0 PB A:ATP201 2.7 19.6 1.0 NZ A:LYS90 2.7 31.2 1.0 O A:HOH175 2.8 30.7 1.0 PA A:ATP201 3.0 17.2 1.0 O3A A:ATP201 3.0 20.1 1.0 O A:HOH420 3.1 51.2 1.0 PG A:ATP201 3.2 36.1 1.0 O3B A:ATP201 3.2 23.8 1.0 NH1 B:ARG101 3.6 43.2 1.0 CE A:LYS90 3.7 26.7 1.0 O1G A:ATP201 3.8 38.8 1.0 O2A A:ATP201 4.0 17.9 1.0 O5' A:ATP201 4.0 16.0 1.0 O2B A:ATP201 4.1 20.0 1.0 N A:GLN38 4.3 17.4 1.0 OE1 A:GLN38 4.3 46.9 1.0 O B:HOH463 4.4 57.3 1.0 CG A:GLN38 4.4 32.6 1.0 O3G A:ATP201 4.4 35.8 1.0 C8 A:ATP201 4.5 14.2 1.0 CA A:GLY37 4.5 16.1 1.0 N7 A:ATP201 4.6 14.3 1.0 CD A:GLN38 4.8 41.4 1.0 O B:HOH296 4.8 38.0 1.0 CB A:GLN38 4.9 23.1 1.0 CZ B:ARG101 4.9 43.3 1.0 CD A:LYS90 4.9 20.2 1.0 O A:HOH323 5.0 29.2 1.0

Magnesium binding site 2 out of 3 in the GLNK2 From Archaeoglobus Fulgidus, Atp Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of GLNK2 From Archaeoglobus Fulgidus, Atp Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg121 b:38.6 occ:0.50 O B:HOH171 1.8 28.6 1.0 O1B B:ATP202 1.9 17.6 1.0 O C:HOH143 2.0 20.9 1.0 O1A B:ATP202 2.0 18.2 1.0 PB B:ATP202 3.0 17.9 1.0 PA B:ATP202 3.2 16.1 1.0 O3A B:ATP202 3.3 18.0 1.0 O2G B:ATP202 3.4 36.6 1.0 CE B:LYS90 3.6 23.3 1.0 O3B B:ATP202 3.7 19.8 1.0 O C:HOH199 3.9 35.3 1.0 N B:GLN38 3.9 17.2 1.0 NZ B:LYS90 3.9 30.2 1.0 O1 C:PO4122 4.0 30.3 1.0 CG B:GLN38 4.0 27.9 1.0 O5' B:ATP202 4.0 16.6 1.0 O C:HOH149 4.1 52.6 1.0 N7 B:ATP202 4.2 12.8 1.0 CA B:GLY37 4.2 16.4 1.0 C8 B:ATP202 4.2 13.7 1.0 PG B:ATP202 4.2 27.7 1.0 O2B B:ATP202 4.4 19.6 1.0 O2A B:ATP202 4.4 17.1 1.0 NE2 B:GLN38 4.4 44.4 1.0 C B:GLY37 4.6 16.7 1.0 O2 C:PO4122 4.6 21.6 1.0 CB B:GLN38 4.6 22.4 1.0 P C:PO4122 4.7 28.5 1.0 O3 C:PO4122 4.7 38.4 1.0 CD B:GLN38 4.8 36.8 1.0 CA B:GLN38 4.9 19.7 1.0 CD B:LYS90 4.9 19.0 1.0

Magnesium binding site 3 out of 3 in the GLNK2 From Archaeoglobus Fulgidus, Atp Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of GLNK2 From Archaeoglobus Fulgidus, Atp Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg123 b:41.9 occ:0.50 O1A C:ATP200 1.5 22.3 1.0 O1B C:ATP200 2.0 23.2 1.0 O2G C:ATP200 2.0 41.6 1.0 O A:HOH144 2.2 32.2 1.0 PA C:ATP200 2.5 18.9 1.0 PB C:ATP200 2.6 21.5 1.0 O C:HOH254 2.8 50.7 1.0 O3A C:ATP200 2.8 20.5 1.0 O3B C:ATP200 2.9 24.6 1.0 PG C:ATP200 3.0 37.3 1.0 O C:HOH253 3.4 26.8 1.0 O2A C:ATP200 3.4 20.2 1.0 NZ C:LYS90 3.4 31.4 1.0 CE C:LYS90 3.8 21.4 1.0 O5' C:ATP200 3.8 18.2 1.0 O1G C:ATP200 3.9 36.1 1.0 O3G C:ATP200 4.1 45.7 1.0 NH1 A:ARG101 4.1 47.6 1.0 NE A:ARG101 4.1 41.0 1.0 O2B C:ATP200 4.2 21.6 1.0 O C:HOH245 4.2 27.4 1.0 OE1 C:GLN38 4.3 47.1 1.0 CZ A:ARG101 4.6 45.1 1.0 CG C:GLN38 4.7 33.9 1.0 N C:GLN38 4.7 20.6 1.0 C8 C:ATP200 4.7 14.2 1.0 CD C:GLN38 4.8 43.0 1.0 CA C:GLY37 4.9 17.1 1.0 O C:HOH373 4.9 22.5 1.0 N7 C:ATP200 4.9 14.7 1.0

S.Helfmann, W.Lu, C.Litz, S.L.Andrade. Cooperative Binding of Mgatp and Mgadp in the Trimeric P(II) Protein GLNK2 From Archaeoglobus Fulgidus. J.Mol.Biol. V. 402 165 2010.
ISSN: ISSN 0022-2836
PubMed: 20643148
DOI: 10.1016/J.JMB.2010.07.020