Chlorine in PDB 8tsz: Pseudomonas Fluorescens G150T-3 Isocyanide Hydratase at 274 K

The structure of Pseudomonas Fluorescens G150T-3 Isocyanide Hydratase at 274 K, PDB code: 8tsz 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)	35.16 / 1.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	72.13, 59.66, 56.171, 90, 115.87, 90
R / Rfree (%)	11.6 / 13.4

The binding sites of Chlorine atom in the Pseudomonas Fluorescens G150T-3 Isocyanide Hydratase at 274 K (pdb code 8tsz). 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-3 Isocyanide Hydratase at 274 K, PDB code: 8tsz:

Chlorine binding site 1 out of 1 in the Pseudomonas Fluorescens G150T-3 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-3 Isocyanide Hydratase at 274 K within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:20.4 occ:0.77 H A:THR153 2.1 21.6 0.4 HG1 A:THR153 2.3 26.3 0.4 HH21 A:ARG139 2.4 27.7 0.7 HA3 A:GLY151 2.6 18.5 0.4 H A:THR153 2.8 9.8 0.6 HG1 A:THR153 2.8 13.3 0.6 HA3 A:GLY151 2.8 11.9 0.6 N A:THR153 2.9 18.0 0.4 H A:ILE152 2.9 19.6 0.4 OG1 A:THR153 2.9 11.1 0.6 OG1 A:THR153 3.1 21.9 0.4 N A:ILE152 3.1 16.3 0.4 HE A:ARG139 3.2 26.3 0.7 C A:GLY151 3.2 15.3 0.4 CA A:GLY151 3.2 15.4 0.4 NH2 A:ARG139 3.3 23.1 0.7 H A:ALA154 3.4 20.8 0.4 HA2 A:GLY151 3.5 18.5 0.4 N A:THR153 3.6 8.1 0.6 HG23 A:THR153 3.6 26.3 0.4 CA A:GLY151 3.7 9.9 0.6 CA A:THR153 3.7 18.6 0.4 HG13 A:ILE152 3.8 22.3 0.4 HH22 A:ARG139 3.8 27.7 0.7 CB A:THR153 3.8 20.9 0.4 N A:ALA154 3.8 17.4 0.4 NE A:ARG139 3.9 21.9 0.7 C A:ILE152 3.9 19.1 0.4 C A:GLY151 3.9 8.4 0.6 O A:GLY151 3.9 15.1 0.4 H A:ALA154 3.9 10.1 0.6 HG12 A:ILE152 4.0 22.3 0.4 H A:ILE152 4.0 10.2 0.6 CA A:ILE152 4.0 17.5 0.4 CB A:THR153 4.0 10.0 0.6 HA2 A:GLY151 4.0 11.9 0.6 CA A:THR153 4.0 9.1 0.6 N A:ILE152 4.0 8.5 0.6 CZ A:ARG139 4.0 21.7 0.7 N A:ALA154 4.1 8.4 0.6 C A:THR153 4.1 17.3 0.4 C A:THR153 4.1 9.2 0.6 O A:HOH440 4.1 18.9 1.0 HG22 A:ILE152 4.2 11.8 0.6 CG2 A:THR153 4.2 21.9 0.4 O A:THR150 4.3 12.1 0.6 CG1 A:ILE152 4.3 18.6 0.4 HG23 A:THR153 4.4 13.8 0.6 O A:GLY151 4.4 9.3 0.6 HB2 A:ALA154 4.5 17.2 0.4 N A:GLY151 4.5 14.2 0.4 HA A:ALA154 4.5 11.7 0.6 O A:THR150 4.6 13.1 0.4 HA A:THR153 4.6 22.3 0.4 HG21 A:THR153 4.6 26.3 0.4 C A:ILE152 4.7 8.7 0.6 HB A:THR153 4.7 25.1 0.4 HB A:THR153 4.7 12.0 0.6 HA A:ILE152 4.7 21.0 0.4 N A:GLY151 4.8 10.1 0.6 O A:THR153 4.8 9.1 0.6 CG2 A:THR153 4.8 11.5 0.6 CB A:ILE152 4.8 18.7 0.4 CA A:ALA154 4.9 15.7 0.4 HG23 A:ILE152 4.9 11.8 0.6 HA A:ALA154 4.9 18.9 0.4 CA A:ALA154 4.9 9.8 0.6 CA A:ILE152 4.9 9.7 0.6 C A:THR150 4.9 10.0 0.6 CG2 A:ILE152 5.0 9.9 0.6 HA A:THR153 5.0 10.9 0.6 C A:THR150 5.0 12.8 0.4

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