Chlorine in PDB 4j51: Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04

All present enzymatic activity of Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04:
3.1.3.48;

The structure of Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04, PDB code: 4j51 was solved by D.Liu, Y.He, Z.-Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	46.193, 93.644, 153.498, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.8

The binding sites of Chlorine atom in the Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04 (pdb code 4j51). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04, PDB code: 4j51:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:79.1 occ:1.00 CL A:N75401 0.0 79.1 1.0 C26 A:N75401 1.7 78.6 1.0 C25 A:N75401 2.7 77.2 1.0 C27 A:N75401 2.7 78.0 1.0 O A:GLN274 3.7 65.0 1.0 C24 A:N75401 4.0 77.3 1.0 C22 A:N75401 4.0 78.0 1.0 CG2 A:THR275 4.5 61.9 1.0 C23 A:N75401 4.5 77.9 1.0 CG A:GLN274 4.6 66.6 1.0 C A:GLN274 4.7 63.8 1.0 CA A:THR275 5.0 62.5 1.0

Chlorine binding site 2 out of 2 in the Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cyrstal Structure of Protein Tyrosine Phosphatase Lyp Catalytic Domain Complex with Small Molecular Inhibitor L75N04 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:73.4 occ:1.00 CL B:N75401 0.0 73.4 1.0 C26 B:N75401 1.7 73.9 1.0 C25 B:N75401 2.7 73.9 1.0 C27 B:N75401 2.7 73.7 1.0 O B:GLN274 3.6 64.3 1.0 CG2 B:THR275 3.7 63.7 1.0 C24 B:N75401 4.0 73.0 1.0 C22 B:N75401 4.0 74.3 1.0 CB B:THR275 4.5 63.9 1.0 C23 B:N75401 4.5 74.7 1.0 CA B:THR275 4.6 63.1 1.0 C B:GLN274 4.6 63.5 1.0 CG B:GLN274 4.8 66.0 1.0

Y.He, S.Liu, A.Menon, S.Stanford, E.Oppong, A.M.Gunawan, L.Wu, D.J.Wu, A.M.Barrios, N.Bottini, A.C.Cato, Z.Y.Zhang. A Potent and Selective Small-Molecule Inhibitor For the Lymphoid-Specific Tyrosine Phosphatase (Lyp), A Target Associated with Autoimmune Diseases. J.Med.Chem. V. 56 4990 2013.
ISSN: ISSN 0022-2623
PubMed: 23713581
DOI: 10.1021/JM400248C