Calcium in PDB 5ao8: Crystal Structure of SLTB3 From Pseudomonas Aeruginosa in Complex with Nag-Nam-Pentapeptide

The structure of Crystal Structure of SLTB3 From Pseudomonas Aeruginosa in Complex with Nag-Nam-Pentapeptide, PDB code: 5ao8 was solved by T.Dominguez-Gil, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.77 / 2.23
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.101, 61.440, 49.870, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 23.7

The binding sites of Calcium atom in the Crystal Structure of SLTB3 From Pseudomonas Aeruginosa in Complex with Nag-Nam-Pentapeptide (pdb code 5ao8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of SLTB3 From Pseudomonas Aeruginosa in Complex with Nag-Nam-Pentapeptide, PDB code: 5ao8:

Calcium binding site 1 out of 1 in the Crystal Structure of SLTB3 From Pseudomonas Aeruginosa in Complex with Nag-Nam-Pentapeptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of SLTB3 From Pseudomonas Aeruginosa in Complex with Nag-Nam-Pentapeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca501 b:37.9 occ:1.00 OD1 A:ASP219 2.4 40.9 1.0 O A:LYS225 2.4 28.6 1.0 OD1 A:ASP223 2.4 38.4 1.0 OD2 A:ASP234 2.5 28.0 1.0 OD1 A:ASP221 2.5 52.0 1.0 OD1 A:ASP234 2.9 28.2 1.0 CG A:ASP234 3.0 31.7 1.0 CG A:ASP223 3.3 50.8 1.0 CG A:ASP221 3.4 64.8 1.0 CG A:ASP219 3.5 37.7 1.0 H A:LYS225 3.5 41.6 1.0 HA A:ASP219 3.5 35.3 1.0 C A:LYS225 3.5 27.8 1.0 OD2 A:ASP223 3.6 43.6 1.0 HB2 A:LYS225 3.6 32.4 1.0 H A:ASP227 3.6 33.5 1.0 H A:ASP223 3.7 54.0 1.0 OD2 A:ASP221 3.7 77.8 1.0 O A:ASP221 3.9 79.9 1.0 HG A:SER231 4.0 51.7 1.0 HB3 A:ASP227 4.0 36.8 1.0 N A:LYS225 4.1 34.7 1.0 H A:PHE220 4.1 42.3 1.0 CA A:LYS225 4.2 31.5 1.0 HA A:ARG226 4.2 33.5 1.0 CA A:ASP219 4.2 29.4 1.0 CB A:ASP219 4.3 34.1 1.0 H A:ASP221 4.3 48.0 1.0 HB2 A:ASP219 4.3 41.0 1.0 CB A:LYS225 4.3 27.0 1.0 OD2 A:ASP219 4.3 39.9 1.0 N A:ASP227 4.4 27.9 1.0 C A:ASP221 4.5 60.1 1.0 N A:ASP223 4.5 45.0 1.0 N A:PHE220 4.5 35.3 1.0 CB A:ASP234 4.6 25.0 1.0 N A:ARG226 4.6 30.4 1.0 CB A:ASP223 4.6 47.0 1.0 C A:ASP219 4.6 36.2 1.0 N A:ASP221 4.7 40.0 1.0 CB A:ASP221 4.7 52.5 1.0 HB3 A:SER231 4.7 50.4 1.0 HB3 A:LYS225 4.8 32.4 1.0 OG A:SER231 4.8 43.1 1.0 HB2 A:ASP227 4.8 36.8 1.0 CB A:ASP227 4.8 30.7 1.0 HB2 A:SER231 4.8 50.4 1.0 CA A:ARG226 4.8 27.9 1.0 HB3 A:ASP223 4.9 56.5 1.0 HB3 A:ASP234 4.9 30.0 1.0 HB2 A:ASP234 4.9 30.0 1.0 H A:GLY224 4.9 46.4 1.0 CA A:ASP221 4.9 48.2 1.0

M.Lee, T.Dominguez-Gil, D.Hesek, K.V.Mahasenan, E.Lastochkin, J.A.Hermoso, S.Mobashery. Turnover of Bacterial Cell Wall By SLTB3, A Multidomain Lytic Transglycosylase of Pseudomonas Aeruginosa. Acs Chem.Biol. V. 11 1525 2016.
ISSN: ISSN 1554-8929
PubMed: 27035839
DOI: 10.1021/ACSCHEMBIO.6B00194