Magnesium in PDB 2ynv: CYS221 Oxidized, Mono Zinc Gim-1 - Gim-1-Ox. Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active Site Plasticity in Metallo-Beta- Lactamases

The structure of CYS221 Oxidized, Mono Zinc Gim-1 - Gim-1-Ox. Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active Site Plasticity in Metallo-Beta- Lactamases, PDB code: 2ynv was solved by P.S.Borra, O.Samuelsen, J.Spencer, M.S.Lorentzen, H.-K.S.Leiros, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.55 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	38.648, 131.712, 40.721, 90.00, 94.78, 90.00
R / Rfree (%)	19.7 / 24.7

The structure of CYS221 Oxidized, Mono Zinc Gim-1 - Gim-1-Ox. Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active Site Plasticity in Metallo-Beta- Lactamases also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the CYS221 Oxidized, Mono Zinc Gim-1 - Gim-1-Ox. Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active Site Plasticity in Metallo-Beta- Lactamases (pdb code 2ynv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the CYS221 Oxidized, Mono Zinc Gim-1 - Gim-1-Ox. Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active Site Plasticity in Metallo-Beta- Lactamases, PDB code: 2ynv:

Magnesium binding site 1 out of 1 in the CYS221 Oxidized, Mono Zinc Gim-1 - Gim-1-Ox. Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active Site Plasticity in Metallo-Beta- Lactamases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of CYS221 Oxidized, Mono Zinc Gim-1 - Gim-1-Ox. Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active Site Plasticity in Metallo-Beta- Lactamases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1297 b:17.8 occ:1.00 HD1 A:HIS55 2.1 7.2 1.0 HG A:SER57 2.4 17.7 1.0 HA A:PRO86 2.6 13.2 1.0 ND1 A:HIS55 2.7 6.0 1.0 OG A:SER57 2.8 14.8 1.0 H A:SER57 2.9 20.8 1.0 HE1 A:HIS55 2.9 7.0 1.0 O A:HOH2005 2.9 30.0 1.0 O A:SER69 2.9 8.7 1.0 CE1 A:HIS55 3.1 5.8 1.0 HA A:THR56 3.3 14.1 1.0 N A:SER57 3.4 17.3 1.0 O A:HIS55 3.4 6.7 1.0 H A:GLY71 3.5 8.4 1.0 CA A:PRO86 3.6 11.0 1.0 HB3 A:PRO86 3.7 8.8 1.0 HA A:ASN70 3.7 8.9 1.0 CB A:SER57 3.8 15.1 1.0 C A:SER69 3.8 9.0 1.0 HB3 A:SER57 3.8 18.1 1.0 N A:GLY71 3.9 7.0 1.0 C A:HIS55 3.9 7.4 1.0 CA A:THR56 3.9 11.8 1.0 HB3 A:SER69 3.9 16.5 1.0 HG3 A:PRO86 3.9 8.1 1.0 C A:THR56 4.0 12.6 1.0 CG A:HIS55 4.0 6.1 1.0 HD13 A:LEU42 4.1 11.4 1.0 CB A:PRO86 4.1 7.3 1.0 C A:ASN70 4.1 6.8 1.0 N A:THR56 4.1 9.8 1.0 CA A:SER57 4.2 14.1 1.0 HD12 A:LEU42 4.2 11.4 1.0 H A:TRP87 4.2 24.8 1.0 CA A:ASN70 4.2 7.4 1.0 O A:THR85 4.3 12.4 1.0 N A:PRO86 4.3 6.7 1.0 N A:ASN70 4.4 8.2 1.0 CD1 A:LEU42 4.4 9.5 1.0 NE2 A:HIS55 4.4 5.4 1.0 HD11 A:LEU42 4.4 11.4 1.0 CG A:PRO86 4.5 6.7 1.0 HA3 A:GLY71 4.5 7.8 1.0 HB2 A:HIS55 4.5 7.2 1.0 C A:PRO86 4.5 7.9 1.0 OG A:SER69 4.6 13.9 1.0 N A:TRP87 4.6 20.7 1.0 CB A:SER69 4.6 13.8 1.0 HB2 A:SER57 4.6 18.1 1.0 HG A:SER69 4.7 16.7 1.0 C A:THR85 4.7 12.4 1.0 CB A:HIS55 4.7 6.0 1.0 O A:ASN70 4.7 7.4 1.0 H A:THR56 4.8 11.8 1.0 CA A:GLY71 4.8 6.5 1.0 HB2 A:TRP87 4.8 32.6 1.0 HA A:SER57 4.8 16.9 1.0 CA A:SER69 4.9 10.0 1.0 CD2 A:HIS55 4.9 5.3 1.0 CA A:HIS55 4.9 6.3 1.0 H A:SER69 4.9 13.0 1.0 CD A:PRO86 4.9 6.3 1.0 O A:THR56 5.0 9.7 1.0 HB2 A:PRO86 5.0 8.8 1.0 HD3 A:PRO86 5.0 7.6 1.0

P.S.Borra, O.Samuelsen, J.Spencer, T.R.Walsh, M.S.Lorentzen, H.-K.S.Leiros. Crystal Structures of Pseudomonas Aeruginosa Gim-1: Active-Site Plasticity in Metallo-Beta-Lactamases. Antimicrob.Agents Chemother. V. 57 848 2013.
ISSN: ISSN 0066-4804
PubMed: 23208706
DOI: 10.1128/AAC.02227-12