Chlorine in PDB 4uhe: Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Malate Bound)

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

The structure of Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Malate Bound), PDB code: 4uhe 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)	37.52 / 1.16
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	43.330, 43.330, 227.060, 90.00, 90.00, 120.00
R / Rfree (%)	10.679 / 14.224

The binding sites of Chlorine atom in the Structural Studies of A Thermophilic Esterase From Thermogutta Terrifontis (Malate Bound) (pdb code 4uhe). 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 (Malate Bound), PDB code: 4uhe:
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 (Malate Bound)


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 (Malate Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1275 b:14.5 occ:0.70 O A:HOH2228 2.8 8.3 1.0 O A:TYR105 2.9 6.4 1.0 O A:HOH2202 2.9 14.4 1.0 C A:TYR105 3.6 6.0 1.0 CB A:MET75 3.7 7.7 1.0 CG A:MET75 3.8 7.8 1.0 CB A:TYR105 3.8 6.2 1.0 CA A:TYR105 3.9 5.9 1.0 CB A:ARG200 3.9 7.8 1.0 CD A:ARG200 4.0 7.4 1.0 OG A:SER203 4.2 10.7 1.0 N A:ALA109 4.2 7.2 1.0 CG A:ARG200 4.3 7.3 1.0 CD A:PRO201 4.3 9.9 1.0 CB A:PHE108 4.3 8.1 1.0 CB A:ALA109 4.3 8.0 1.0 O A:PRO201 4.6 8.7 1.0 CA A:ALA109 4.7 7.6 1.0 CG A:PRO201 4.7 11.6 1.0 O A:HOH2221 4.8 8.5 1.0 O A:HOH2060 4.8 14.8 1.0 N A:VAL106 4.8 5.8 1.0 CG A:TYR105 4.8 6.3 1.0 NE A:ARG200 4.9 7.3 1.0 C A:PHE108 4.9 7.7 1.0 CA A:ARG200 5.0 7.5 1.0 N A:PRO201 5.0 7.8 1.0

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


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 (Malate Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1276 b:15.8 occ:0.50 O A:HOH2239 2.7 16.0 1.0 O A:HOH2224 2.7 36.4 1.0 N A:SER132 3.0 8.6 1.0 CB A:ALA135 3.4 9.7 1.0 OG A:SER132 3.4 12.1 1.0 CB A:SER132 3.6 10.3 1.0 CA A:ASP131 3.7 8.2 1.0 C A:ASP131 3.8 9.3 1.0 NH1 A:ARG127 3.8 27.3 0.7 CA A:SER132 3.9 8.9 1.0 O A:PRO130 4.1 9.8 1.0 O A:HOH2230 4.4 34.8 0.5 OD1 A:ASP131 4.5 8.9 1.0 O A:HOH2200 4.5 22.7 1.0 CB A:ASP131 4.5 9.0 1.0 NH1 A:ARG127 4.6 25.2 0.3 NH2 A:ARG129 4.7 31.1 0.5 CZ A:ARG127 4.7 26.3 0.7 N A:ASP131 4.7 8.0 1.0 O A:HOH2229 4.8 49.0 1.0 CA A:ALA135 4.8 8.5 1.0 C A:PRO130 4.8 8.3 1.0 O A:HOH2260 4.8 17.9 1.0 CG A:ASP131 4.9 9.0 1.0 C A:SER132 4.9 8.4 1.0 O A:SER132 4.9 8.8 1.0 NH2 A:ARG127 4.9 21.7 0.7 O A:ASP131 5.0 10.7 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