Chlorine in PDB 4uhc: Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native)

All present enzymatic activity of Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native):
3.1.1.1;

The structure of Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native), PDB code: 4uhc was solved by C.Sayer, M.N.Isupov, E.Bonch-Osmolovskaya, J.A.Littlechild, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.54 / 1.03
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	43.190, 43.190, 226.630, 90.00, 90.00, 120.00
R / Rfree (%)	10.904 / 12.853

The binding sites of Chlorine atom in the Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native) (pdb code 4uhc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native), PDB code: 4uhc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1280 b:14.1 occ:0.70 O A:HOH2351 2.8 8.9 1.0 O A:HOH2195 2.9 15.0 1.0 O A:TYR105 2.9 7.0 1.0 C A:TYR105 3.6 6.4 1.0 CB A:MET75 3.7 8.0 1.0 CG A:MET75 3.8 8.2 1.0 CB A:TYR105 3.8 6.6 1.0 CA A:TYR105 3.9 6.4 1.0 CB A:ARG200 3.9 8.2 1.0 CD A:ARG200 4.0 8.1 1.0 OG A:SER203 4.2 11.0 1.0 N A:ALA109 4.2 7.3 1.0 CG A:ARG200 4.3 7.7 1.0 CB A:PHE108 4.3 8.2 1.0 CD A:PRO201 4.3 10.7 1.0 CB A:ALA109 4.3 7.8 1.0 O A:PRO201 4.6 9.5 1.0 CG A:PRO201 4.7 12.3 1.0 CA A:ALA109 4.7 7.6 1.0 O A:HOH2204 4.7 13.7 1.0 N A:VAL106 4.8 6.2 1.0 CG A:TYR105 4.8 6.4 1.0 O A:HOH2217 4.8 9.7 1.0 NE A:ARG200 4.9 8.0 1.0 C A:PHE108 4.9 7.3 1.0 N A:PRO201 5.0 8.6 1.0 CA A:ARG200 5.0 7.8 1.0

Chlorine binding site 2 out of 2 in the Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Native) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1281 b:16.5 occ:0.50 NH1 A:ARG129 2.7 28.1 0.5 O A:HOH2227 2.8 17.7 1.0 NH2 A:ARG127 2.9 34.7 0.4 N A:SER132 3.0 9.7 1.0 NH2 A:ARG129 3.3 49.2 0.5 CZ A:ARG129 3.4 31.6 0.5 CB A:ALA135 3.4 9.5 1.0 OG A:SER132 3.6 13.0 1.0 CZ A:ARG127 3.6 36.6 0.4 CA A:ASP131 3.7 9.0 1.0 CB A:SER132 3.7 11.7 1.0 C A:ASP131 3.8 9.4 1.0 NH1 A:ARG127 3.9 36.7 0.4 CA A:SER132 3.9 9.7 1.0 O A:HOH2222 4.0 45.2 1.0 O A:PRO130 4.1 11.0 1.0 OD1 A:ASP131 4.4 10.3 1.0 NE A:ARG127 4.5 35.7 0.4 CB A:ASP131 4.5 9.7 1.0 O A:HOH2223 4.6 32.1 1.0 O A:HOH2193 4.7 27.8 1.0 N A:ASP131 4.7 9.1 1.0 NE A:ARG129 4.7 31.2 0.5 C A:PRO130 4.8 8.8 1.0 CG A:ASP131 4.8 10.1 1.0 O A:HOH2243 4.8 21.6 1.0 CA A:ALA135 4.9 8.0 1.0 O A:SER132 4.9 8.6 1.0 C A:SER132 4.9 8.2 1.0 O A:ASP131 5.0 11.0 1.0

C.Sayer, M.N.Isupov, E.Bonch-Osmolovskaya, J.A.Littlechild. Structural Studies of A Thermophilic Esterase From A New Planctomycetes Species, Thermogutta Terrifontis. Febs J. V. 282 2846 2015.
ISSN: ISSN 1742-464X
PubMed: 26011036
DOI: 10.1111/FEBS.13326