Chlorine in PDB 4p9z: GRB2 SH2 Complexed with A Ptyr-AC6C-Asn Tripeptide

The structure of GRB2 SH2 Complexed with A Ptyr-AC6C-Asn Tripeptide, PDB code: 4p9z 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)	6.00 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	41.905, 41.905, 107.642, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 23.9

The binding sites of Chlorine atom in the GRB2 SH2 Complexed with A Ptyr-AC6C-Asn Tripeptide (pdb code 4p9z). 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 GRB2 SH2 Complexed with A Ptyr-AC6C-Asn Tripeptide, PDB code: 4p9z:

Chlorine binding site 1 out of 1 in the GRB2 SH2 Complexed with A Ptyr-AC6C-Asn Tripeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of GRB2 SH2 Complexed with A Ptyr-AC6C-Asn Tripeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:39.6 occ:1.00 N A:SER139 3.2 21.1 1.0 NE2 A:GLN145 3.5 24.2 1.0 CA A:THR138 3.8 20.1 1.0 CE2 A:PHE147 3.8 24.5 1.0 CB A:SER139 3.9 22.6 1.0 CZ A:PHE147 4.0 26.2 1.0 C A:THR138 4.0 22.4 1.0 CG2 A:THR138 4.0 21.9 1.0 OE1 A:GLN145 4.0 26.5 1.0 O A:HOH317 4.0 30.2 0.5 CD A:GLN145 4.2 25.6 1.0 CA A:SER139 4.2 20.9 1.0 O A:SER137 4.5 24.1 1.0 CB A:THR138 4.5 22.6 1.0 O A:HOH340 4.7 38.6 1.0 N A:THR138 4.8 20.6 1.0 OG1 A:THR138 4.9 24.1 1.0

J.M.Myslinski, J.H.Clements, S.F.Martin. Protein-Ligand Interactions: Probing the Energetics of A Putative Cation-Pi Interaction. Bioorg.Med.Chem.Lett. V. 24 3164 2014.
ISSN: ESSN 1464-3405
PubMed: 24856058
DOI: 10.1016/J.BMCL.2014.04.114