Magnesium in PDB 3mey: Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp

The structure of Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp, PDB code: 3mey was solved by I.Weygand-Durasevic, M.Mocibob, N.Ivic, S.Bilokapic, T.Maier, M.Luic, N.Ban, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.74 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.166, 101.133, 50.414, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 23.1

The structure of Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp (pdb code 3mey). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp, PDB code: 3mey:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:56.0 occ:1.00 O1B A:ATP1010 2.1 52.3 1.0 O A:HOH395 2.3 23.4 1.0 CG A:PRO216 2.8 46.8 1.0 NH2 A:ARG159 3.3 16.2 1.0 O3G A:ATP1010 3.5 60.8 1.0 CD A:PRO216 3.5 42.6 1.0 PB A:ATP1010 3.6 52.0 1.0 CD1 A:LEU88 3.6 20.6 1.0 NE A:ARG159 3.7 24.4 1.0 CZ A:ARG159 3.8 29.7 1.0 OE2 A:GLU161 4.0 30.3 1.0 CB A:PRO216 4.2 42.8 1.0 O2B A:ATP1010 4.3 53.4 1.0 O3A A:ATP1010 4.5 47.4 1.0 O3B A:ATP1010 4.5 57.1 1.0 PG A:ATP1010 4.6 63.0 1.0 OE1 A:GLU161 4.6 47.1 1.0 CD A:GLU161 4.7 40.5 1.0 CD A:ARG159 4.7 20.9 1.0 N A:PRO216 4.9 41.2 1.0 NH1 A:ARG159 4.9 8.6 1.0 N7 A:ATP1010 4.9 22.0 1.0 O1A A:ATP1010 5.0 36.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Class II Aars Homologue (BLL0957) Complexed with Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:21.5 occ:1.00 O2G B:ATP1010 1.9 28.8 1.0 O1B B:ATP1010 2.0 25.5 1.0 O B:HOH396 2.1 22.2 1.0 O B:HOH394 2.2 17.7 1.0 O B:HOH395 2.3 18.6 1.0 O B:HOH382 2.3 32.6 1.0 PB B:ATP1010 3.2 25.7 1.0 PG B:ATP1010 3.2 31.1 1.0 O3B B:ATP1010 3.5 28.5 1.0 NH1 B:ARG159 3.7 16.2 1.0 O1G B:ATP1010 3.8 31.3 1.0 NH2 B:ARG168 3.8 37.9 1.0 O2B B:ATP1010 3.9 27.5 1.0 OE2 B:GLU161 4.1 29.5 1.0 OE1 B:GLU161 4.2 27.4 1.0 O3G B:ATP1010 4.4 29.2 1.0 O3A B:ATP1010 4.5 25.2 1.0 N7 B:ATP1010 4.5 15.6 1.0 CD B:GLU161 4.6 24.2 1.0 O B:HOH368 4.8 35.0 1.0 CZ B:ARG159 4.9 26.6 1.0

M.Mocibob, N.Ivic, S.Bilokapic, T.Maier, M.Luic, N.Ban, I.Weygand-Durasevic. Homologs of Aminoacyl-Trna Synthetases Acylate Carrier Proteins and Provide A Link Between Ribosomal and Nonribosomal Peptide Synthesis Proc.Natl.Acad.Sci.Usa V. 107 14585 2010.
ISSN: ISSN 0027-8424
PubMed: 20663952
DOI: 10.1073/PNAS.1007470107