Magnesium in PDB 2hru: T. Maritima Purl Complexed with Adp

All present enzymatic activity of T. Maritima Purl Complexed with Adp:
6.3.5.3;

The structure of T. Maritima Purl Complexed with Adp, PDB code: 2hru was solved by S.E.Ealick, M.Morar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.39 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.626, 70.960, 136.953, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 29.5

The binding sites of Magnesium atom in the T. Maritima Purl Complexed with Adp (pdb code 2hru). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the T. Maritima Purl Complexed with Adp, PDB code: 2hru:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the T. Maritima Purl Complexed with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of T. Maritima Purl Complexed with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg901 b:29.7 occ:1.00 OD2 A:ASP94 2.4 39.4 1.0 OE2 A:GLU70 2.4 42.2 1.0 O3B A:ADP2005 2.6 20.4 0.5 O2B A:ADP2005 2.8 21.7 0.5 O A:HOH2063 3.0 23.8 1.0 PB A:ADP2005 3.1 14.6 0.5 CD A:GLU70 3.3 45.4 1.0 CG A:ASP94 3.4 44.7 1.0 O1B A:ADP2005 3.5 23.2 0.5 OE1 A:GLU70 3.5 45.7 1.0 OD2 A:ASP236 3.6 40.2 1.0 OD1 A:ASP94 3.7 66.0 1.0 O A:HOH2022 3.8 34.8 1.0 MG A:MG902 3.8 19.6 1.0 OD1 A:ASP236 4.3 61.6 1.0 CG A:ASP236 4.4 43.5 1.0 NZ A:LYS68 4.4 46.4 1.0 O3A A:ADP2005 4.6 19.1 0.5 CG A:GLU70 4.7 35.6 1.0 O1A A:ADP2005 4.8 25.5 0.5 CB A:ASP94 4.8 32.1 1.0 O A:HOH2035 4.9 49.0 1.0

Magnesium binding site 2 out of 3 in the T. Maritima Purl Complexed with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of T. Maritima Purl Complexed with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:19.6 occ:1.00 O1B A:ADP2005 2.4 23.2 0.5 OD1 A:ASP236 2.6 61.6 1.0 O2B A:ADP2005 2.8 21.7 0.5 O A:HOH2063 2.9 23.8 1.0 ND2 A:ASN53 3.0 57.2 1.0 OD1 A:ASP94 3.0 66.0 1.0 OD1 A:ASN53 3.0 62.9 1.0 CG A:ASN53 3.1 60.5 1.0 PB A:ADP2005 3.1 14.6 0.5 CG A:ASP236 3.6 43.5 1.0 MG A:MG901 3.8 29.7 1.0 CG A:GLN235 3.9 33.2 1.0 OD2 A:ASP236 3.9 40.2 1.0 CD A:GLN235 4.0 35.4 1.0 CG A:ASP94 4.0 44.7 1.0 MG A:MG903 4.1 19.6 1.0 CB A:ASN53 4.1 60.8 1.0 NE2 A:GLN235 4.1 25.5 1.0 OD2 A:ASP94 4.2 39.4 1.0 O3A A:ADP2005 4.2 19.1 0.5 O3B A:ADP2005 4.3 20.4 0.5 O A:ASP236 4.4 26.7 1.0 OE1 A:GLN235 4.4 35.5 1.0 N A:ASP236 4.6 31.2 1.0 CA A:ASN53 4.8 50.9 1.0 CB A:ASP236 4.9 41.5 1.0

Magnesium binding site 3 out of 3 in the T. Maritima Purl Complexed with Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of T. Maritima Purl Complexed with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg903 b:19.6 occ:1.00 O2B A:ADP2005 2.7 21.7 0.5 O A:HOH2035 2.7 49.0 1.0 O A:HOH2016 2.8 35.6 1.0 O2A A:ADP2005 3.1 18.0 0.5 OE1 A:GLU248 3.2 44.3 1.0 O A:HOH2063 3.4 23.8 1.0 O3A A:ADP2005 3.6 19.1 0.5 OE2 A:GLU248 3.6 59.9 1.0 PB A:ADP2005 3.8 14.6 0.5 CD A:GLU248 3.8 44.8 1.0 PA A:ADP2005 4.0 18.9 0.5 MG A:MG902 4.1 19.6 1.0 O1B A:ADP2005 4.5 23.2 0.5 NE2 A:GLN235 4.8 25.5 1.0 C5' A:ADP2005 5.0 30.5 0.5 O3B A:ADP2005 5.0 20.4 0.5 O A:CYS33 5.0 35.4 1.0

M.Morar, R.Anand, A.A.Hoskins, J.Stubbe, S.E.Ealick. Complexed Structures of Formylglycinamide Ribonucleotide Amidotransferase From Thermotoga Maritima Describe A Novel Atp Binding Protein Superfamily Biochemistry V. 45 14880 2006.
ISSN: ISSN 0006-2960
PubMed: 17154526
DOI: 10.1021/BI061591U