Chlorine in PDB 8tsu: Pseudomonas Fluorescens G150T-1 Isocyanide Hydratase at 274 K

The structure of Pseudomonas Fluorescens G150T-1 Isocyanide Hydratase at 274 K, PDB code: 8tsu was solved by M.A.Wilson, N.Smith, M.Dasgupta, C.Dolamore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.20 / 1.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.19, 59.717, 56.295, 90, 115.9, 90
R / Rfree (%)	12 / 14.1

The binding sites of Chlorine atom in the Pseudomonas Fluorescens G150T-1 Isocyanide Hydratase at 274 K (pdb code 8tsu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pseudomonas Fluorescens G150T-1 Isocyanide Hydratase at 274 K, PDB code: 8tsu:

Chlorine binding site 1 out of 1 in the Pseudomonas Fluorescens G150T-1 Isocyanide Hydratase at 274 K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Fluorescens G150T-1 Isocyanide Hydratase at 274 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:22.1 occ:0.75 H A:THR153 2.1 19.5 0.3 HH21 A:ARG139 2.4 28.6 0.6 HA3 A:GLY151 2.6 18.1 0.3 H A:THR153 2.8 11.8 0.7 HA3 A:GLY151 2.8 13.5 0.7 HG1 A:THR153 2.8 16.3 0.7 H A:ILE152 2.9 20.8 0.3 N A:THR153 3.0 16.3 0.3 OG1 A:THR153 3.0 13.6 0.7 N A:ILE152 3.0 17.3 0.3 OG1 A:THR153 3.1 23.0 0.3 C A:GLY151 3.1 15.9 0.3 HE A:ARG139 3.2 27.4 0.6 CA A:GLY151 3.2 15.1 0.3 NH2 A:ARG139 3.3 23.9 0.6 H A:ALA154 3.4 19.9 0.3 HG1 A:THR153 3.4 27.6 0.3 HA2 A:GLY151 3.4 18.1 0.3 HG23 A:THR153 3.5 25.8 0.3 N A:THR153 3.6 9.9 0.7 CA A:GLY151 3.6 11.3 0.7 CA A:THR153 3.8 19.9 0.3 HH22 A:ARG139 3.8 28.6 0.6 CB A:THR153 3.8 21.7 0.3 N A:ALA154 3.9 16.6 0.3 HG13 A:ILE152 3.9 23.0 0.3 O A:GLY151 3.9 16.7 0.3 C A:GLY151 3.9 10.5 0.7 NE A:ARG139 3.9 22.8 0.6 C A:ILE152 3.9 18.6 0.3 HG12 A:ILE152 3.9 23.0 0.3 HA2 A:GLY151 4.0 13.5 0.7 CA A:ILE152 4.0 18.9 0.3 H A:ILE152 4.0 11.9 0.7 H A:ALA154 4.0 12.2 0.7 CB A:THR153 4.0 12.1 0.7 CA A:THR153 4.0 11.3 0.7 N A:ILE152 4.0 9.9 0.7 CZ A:ARG139 4.0 22.7 0.6 O A:HOH439 4.1 20.9 1.0 N A:ALA154 4.1 10.2 0.7 C A:THR153 4.1 10.5 0.7 C A:THR153 4.1 18.7 0.3 CG2 A:THR153 4.2 21.5 0.3 HG22 A:ILE152 4.2 13.9 0.7 O A:THR150 4.3 14.4 0.7 CG1 A:ILE152 4.3 19.1 0.3 HG23 A:THR153 4.4 15.7 0.7 O A:GLY151 4.4 10.6 0.7 HB2 A:ALA154 4.5 15.8 0.3 N A:GLY151 4.5 13.3 0.3 HA A:ALA154 4.5 12.6 0.7 O A:THR150 4.6 13.7 0.3 HG21 A:THR153 4.6 25.8 0.3 HA A:THR153 4.6 23.9 0.3 C A:ILE152 4.7 11.1 0.7 HA A:ILE152 4.7 22.7 0.3 HB A:THR153 4.7 26.0 0.3 HB A:THR153 4.7 14.5 0.7 N A:GLY151 4.8 12.6 0.7 O A:THR153 4.8 11.0 0.7 CG2 A:THR153 4.8 13.1 0.7 CB A:ILE152 4.8 19.2 0.3 CA A:ALA154 4.9 10.5 0.7 HG23 A:ILE152 4.9 13.9 0.7 CA A:ALA154 4.9 15.7 0.3 HG22 A:THR153 4.9 25.8 0.3 CA A:ILE152 4.9 11.3 0.7 C A:THR150 4.9 13.3 0.7 HA A:ALA154 5.0 18.8 0.3 C A:THR150 5.0 12.4 0.3 HB2 A:ALA154 5.0 16.1 0.7 CG2 A:ILE152 5.0 11.6 0.7 HA A:THR153 5.0 13.6 0.7

N.Smith, M.Dasgupta, D.C.Wych, C.Dolamore, R.G.Sierra, S.Lisova, D.Marchany-Rivera, A.E.Cohen, S.Boutet, M.S.Hunter, C.Kupitz, F.Poitevin, F.R.Moss, A.S.Brewster, N.K.Sauter, I.D.Young, A.M.Wolff, V.K.Tiwari, N.Kumar, D.B.Berkowitz, R.G.Hadt, M.C.Thompson, A.H.Follmer, M.E.Wall, M.A.Wilson. Changes in An Enzyme Ensemble During Catalysis Observed By High Resolution Xfel Crystallography. Biorxiv 2023.
ISSN: ISSN 2692-8205
PubMed: 37645800
DOI: 10.1101/2023.08.15.553460