Chlorine in PDB 3ove: Crystal Structure of the GRB2 SH2 Domain in Complex with A Pyxn- Derived Tripeptide

The structure of Crystal Structure of the GRB2 SH2 Domain in Complex with A Pyxn- Derived Tripeptide, PDB code: 3ove was solved by J.H.Clements, S.F.Martin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.05 / 1.82
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	41.935, 41.935, 108.971, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 26

The binding sites of Chlorine atom in the Crystal Structure of the GRB2 SH2 Domain in Complex with A Pyxn- Derived Tripeptide (pdb code 3ove). 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 Crystal Structure of the GRB2 SH2 Domain in Complex with A Pyxn- Derived Tripeptide, PDB code: 3ove:

Chlorine binding site 1 out of 1 in the Crystal Structure of the GRB2 SH2 Domain in Complex with A Pyxn- Derived Tripeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the GRB2 SH2 Domain in Complex with A Pyxn- Derived Tripeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl174 b:29.5 occ:1.00 O A:HOH213 3.2 31.9 1.0 N A:SER139 3.2 17.2 1.0 NE2 A:GLN145 3.4 22.0 1.0 CA A:THR138 3.8 17.1 1.0 CE2 A:PHE147 3.9 19.7 1.0 CB A:SER139 3.9 17.5 1.0 OE1 A:GLN145 4.0 19.4 1.0 C A:THR138 4.0 18.4 1.0 CZ A:PHE147 4.1 22.0 1.0 CD A:GLN145 4.2 17.1 1.0 CA A:SER139 4.2 17.9 1.0 CG2 A:THR138 4.3 17.3 1.0 O A:SER137 4.5 19.0 1.0 CB A:THR138 4.6 17.2 1.0 N A:THR138 4.9 17.6 1.0 OG1 A:THR138 5.0 17.3 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