Chlorine in PDB 8wfy: The Crystal Structure of SHP2 From Biortus.

The structure of The Crystal Structure of SHP2 From Biortus., PDB code: 8wfy was solved by F.Wang, W.Cheng, Z.Yuan, J.Qi, J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.12 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.617, 213.636, 55.707, 90, 96.85, 90
R / Rfree (%)	23.7 / 31.7

The binding sites of Chlorine atom in the The Crystal Structure of SHP2 From Biortus. (pdb code 8wfy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of SHP2 From Biortus., PDB code: 8wfy:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of SHP2 From Biortus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of SHP2 From Biortus. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:39.6 occ:1.00 CL1 A:5OD601 0.0 39.6 1.0 C15 A:5OD601 1.7 35.6 1.0 C16 A:5OD601 2.7 36.3 1.0 C8 A:5OD601 2.7 33.9 1.0 C1 A:5OD601 3.1 32.3 1.0 CL2 A:5OD601 3.1 43.9 1.0 N7 A:5OD601 3.1 31.8 1.0 O A:THR253 3.2 26.2 1.0 C6 A:5OD601 3.3 31.6 1.0 CG A:ARG111 3.4 41.1 1.0 CD A:ARG111 3.4 43.3 1.0 C A:THR253 3.6 28.0 1.0 CG2 A:THR253 3.7 27.1 1.0 CA A:LEU254 3.8 29.4 1.0 CG A:GLN257 3.8 34.4 1.0 N A:LEU254 3.8 28.8 1.0 NE A:ARG111 3.9 46.3 1.0 C17 A:5OD601 4.0 34.7 1.0 C19 A:5OD601 4.0 33.3 1.0 N2 A:5OD601 4.0 32.5 1.0 O A:HOH789 4.2 15.1 1.0 CB A:THR253 4.3 27.6 1.0 N5 A:5OD601 4.3 30.2 1.0 CA A:THR253 4.5 29.0 1.0 C18 A:5OD601 4.5 32.9 1.0 CB A:LEU254 4.6 29.0 1.0 CD1 A:LEU254 4.6 29.5 1.0 CZ A:ARG111 4.7 46.2 1.0 CD A:GLN257 4.7 33.7 1.0 CB A:GLN257 4.8 33.4 1.0 CB A:ARG111 4.8 39.5 1.0 C3 A:5OD601 4.9 32.6 1.0 C A:LEU254 4.9 29.5 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of SHP2 From Biortus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of SHP2 From Biortus. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:43.9 occ:1.00 CL2 A:5OD601 0.0 43.9 1.0 C16 A:5OD601 1.7 36.3 1.0 C17 A:5OD601 2.7 34.7 1.0 C15 A:5OD601 2.7 35.6 1.0 CL1 A:5OD601 3.1 39.6 1.0 CG A:GLN257 3.6 34.4 1.0 O A:HOH816 3.7 32.4 1.0 CG A:GLN495 3.7 26.6 1.0 CB A:GLN257 3.8 33.4 1.0 CD A:GLN495 3.9 29.1 1.0 CD1 A:LEU254 4.0 29.5 1.0 C18 A:5OD601 4.0 32.9 1.0 C8 A:5OD601 4.0 33.9 1.0 CB A:GLN495 4.0 26.2 1.0 OE1 A:GLN495 4.2 28.5 1.0 NH1 A:ARG111 4.2 45.4 1.0 NE2 A:GLN495 4.2 30.6 1.0 OE1 A:GLN257 4.3 33.6 1.0 CD A:ARG111 4.4 43.3 1.0 CD A:GLN257 4.4 33.7 1.0 C19 A:5OD601 4.5 33.3 1.0 CZ A:ARG111 4.5 46.2 1.0 NE A:ARG111 4.5 46.3 1.0 O A:PRO491 4.9 21.2 1.0 CA A:LEU254 5.0 29.4 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of SHP2 From Biortus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of SHP2 From Biortus. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:30.1 occ:1.00 CL1 B:5OD601 0.0 30.1 1.0 C15 B:5OD601 1.7 27.6 1.0 C16 B:5OD601 2.7 28.2 1.0 C8 B:5OD601 2.7 26.1 1.0 C1 B:5OD601 3.1 25.4 1.0 CL2 B:5OD601 3.1 33.3 1.0 N7 B:5OD601 3.3 26.1 1.0 CG B:ARG111 3.3 33.6 1.0 C6 B:5OD601 3.4 25.8 1.0 O B:THR253 3.4 22.8 1.0 CD B:ARG111 3.4 34.6 1.0 CG B:GLN257 3.7 25.1 1.0 C B:THR253 3.8 22.7 1.0 NE B:ARG111 3.8 36.0 1.0 CG2 B:THR253 3.9 22.8 1.0 N2 B:5OD601 3.9 24.6 1.0 C19 B:5OD601 4.0 26.8 1.0 C17 B:5OD601 4.0 27.1 1.0 CA B:LEU254 4.0 24.3 1.0 N B:LEU254 4.0 24.4 1.0 N5 B:5OD601 4.4 26.1 1.0 CB B:THR253 4.5 23.1 1.0 CZ B:ARG111 4.5 38.1 1.0 C18 B:5OD601 4.5 26.7 1.0 CD1 B:LEU254 4.5 23.6 1.0 O B:HOH794 4.6 9.7 1.0 CD B:GLN257 4.6 25.5 1.0 CB B:ARG111 4.7 32.0 1.0 CA B:THR253 4.7 23.4 1.0 CB B:GLN257 4.7 24.9 1.0 CB B:LEU254 4.8 23.3 1.0 C3 B:5OD601 4.8 24.7 1.0 NH1 B:ARG111 4.9 40.1 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of SHP2 From Biortus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of SHP2 From Biortus. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:33.3 occ:1.00 CL2 B:5OD601 0.0 33.3 1.0 C16 B:5OD601 1.7 28.2 1.0 C17 B:5OD601 2.7 27.1 1.0 C15 B:5OD601 2.7 27.6 1.0 CL1 B:5OD601 3.1 30.1 1.0 CG B:GLN495 3.6 19.6 1.0 CD B:GLN495 3.8 20.7 1.0 CG B:GLN257 3.8 25.1 1.0 CB B:GLN495 3.9 19.4 1.0 CD1 B:LEU254 3.9 23.6 1.0 C18 B:5OD601 3.9 26.7 1.0 C8 B:5OD601 4.0 26.1 1.0 CB B:GLN257 4.0 24.9 1.0 NH1 B:ARG111 4.0 40.1 1.0 NE2 B:GLN495 4.1 19.8 1.0 CZ B:ARG111 4.2 38.1 1.0 OE1 B:GLN495 4.2 20.2 1.0 C19 B:5OD601 4.5 26.8 1.0 NE B:ARG111 4.5 36.0 1.0 CD B:ARG111 4.6 34.6 1.0 OE1 B:GLN257 4.6 27.4 1.0 CD B:GLN257 4.7 25.5 1.0 O B:PRO491 4.7 19.0 1.0 NH2 B:ARG111 4.7 37.4 1.0

F.Wang, W.Cheng, Z.Yuan, J.Qi, J.Li. The Crystal Structure of SHP2 From Biortus. To Be Published.