Chlorine in PDB 3s8l: Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area

The structure of Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area, PDB code: 3s8l was solved by J.H.Clements, F.M.Stephen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.24 / 1.71
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	42.072, 42.072, 108.755, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 25.6

The binding sites of Chlorine atom in the Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area (pdb code 3s8l). 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 Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area, PDB code: 3s8l:

Chlorine binding site 1 out of 1 in the Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Hydrophobic Surface Area within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:36.5 occ:1.00 N A:SER139 3.3 22.5 1.0 NE2 A:GLN145 3.5 24.4 1.0 CA A:THR138 3.9 23.2 1.0 CB A:SER139 4.0 21.1 1.0 CE2 A:PHE147 4.0 24.7 1.0 C A:THR138 4.1 22.7 1.0 OE1 A:GLN145 4.1 26.2 1.0 CA A:SER139 4.2 21.0 1.0 CD A:GLN145 4.2 23.9 1.0 CG2 A:THR138 4.3 26.6 1.0 CZ A:PHE147 4.4 27.0 1.0 O A:SER137 4.5 24.4 1.0 CB A:THR138 4.6 24.5 1.0 OG1 A:THR138 4.9 25.5 1.0 N A:THR138 5.0 23.5 1.0

J.M.Myslinski, J.E.Delorbe, J.H.Clements, S.F.Martin. Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing Nonpolar Surface Area. J.Am.Chem.Soc. V. 133 18518 2011.
ISSN: ISSN 0002-7863
PubMed: 22007755
DOI: 10.1021/JA2068752