Chlorine in PDB 4es6: Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution

All present enzymatic activity of Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution:
4.2.1.75;

The structure of Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution, PDB code: 4es6 was solved by R.Schnell, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.76 / 2.22
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	132.070, 132.070, 42.440, 90.00, 90.00, 90.00
R / Rfree (%)	21.2 / 25.2

The binding sites of Chlorine atom in the Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution (pdb code 4es6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution, PDB code: 4es6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:36.6 occ:1.00 NE A:ARG10 3.1 35.2 1.0 N A:THR9 3.2 29.4 1.0 N A:ARG10 3.3 32.7 1.0 O A:VAL187 3.3 31.4 1.0 NH2 A:ARG10 3.4 34.9 1.0 CG1 A:VAL187 3.5 29.1 1.0 CB A:ARG10 3.6 35.3 1.0 C A:VAL187 3.6 30.5 1.0 CB A:VAL187 3.7 30.0 1.0 CZ A:ARG10 3.7 37.1 1.0 OG1 A:THR9 3.8 30.6 1.0 CA A:LEU8 3.9 27.4 1.0 C A:LEU8 4.0 28.3 1.0 CA A:ARG10 4.0 34.7 1.0 CA A:THR9 4.1 30.4 1.0 C A:THR9 4.1 31.8 1.0 CA A:VAL188 4.1 31.1 1.0 N A:VAL188 4.2 30.9 1.0 CD A:ARG10 4.2 34.5 1.0 CB A:LEU8 4.2 26.8 1.0 C A:VAL188 4.3 32.1 1.0 CG A:ARG10 4.3 36.2 1.0 CA A:VAL187 4.3 30.3 1.0 N A:SER189 4.4 32.3 1.0 CB A:SER189 4.5 33.2 1.0 CD2 A:LEU18 4.5 27.5 1.0 O A:HOH463 4.5 44.8 1.0 CB A:THR9 4.5 30.8 1.0 OG A:SER189 4.7 33.2 1.0 O A:VAL188 4.8 32.3 1.0 CD2 A:LEU8 4.9 22.9 1.0 CG2 A:VAL187 5.0 28.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hemd (PA5259) From Pseudomonas Aeruginosa (PAO1) at 2.22 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:64.8 occ:1.00 N A:GLY140 3.3 40.9 1.0 N A:ARG164 3.3 41.1 1.0 N A:GLU139 3.5 37.9 1.0 CB A:GLU139 3.7 40.3 1.0 NE A:ARG164 3.7 50.7 1.0 CA A:GLU139 3.9 39.9 1.0 CB A:ARG164 3.9 42.4 1.0 CA A:ARG163 4.0 39.3 1.0 C A:GLU139 4.1 40.6 1.0 CG A:ARG164 4.1 44.1 1.0 C A:ARG163 4.1 40.0 1.0 CA A:ARG164 4.2 42.3 1.0 CA A:GLY140 4.2 41.0 1.0 O A:GLY140 4.2 41.3 1.0 C A:GLY138 4.4 36.2 1.0 NH2 A:ARG164 4.4 53.0 1.0 O A:TYR162 4.4 34.6 1.0 CG A:ARG163 4.5 44.7 1.0 CD A:ARG164 4.5 47.3 1.0 CZ A:ARG164 4.5 52.7 1.0 O A:ARG164 4.6 43.2 1.0 CA A:GLY138 4.6 34.6 1.0 C A:GLY140 4.6 40.8 1.0 CB A:ARG163 4.9 40.0 1.0 C A:ARG164 4.9 42.9 1.0

L.Moynie, R.Schnell, S.A.Mcmahon, T.Sandalova, W.A.Boulkerou, J.W.Schmidberger, M.Alphey, C.Cukier, F.Duthie, J.Kopec, H.Liu, A.Jacewicz, W.N.Hunter, J.H.Naismith, G.Schneider. The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies For Assessment of Potential Targets in Early-Stage Drug Discovery. Acta Crystallogr.,Sect.F V. 69 25 2013.
ISSN: ESSN 1744-3091
PubMed: 23295481
DOI: 10.1107/S1744309112044739