Chlorine in PDB 6sdf: N-Terminal SH3 Domain of GRB2 Protein

The structure of N-Terminal SH3 Domain of GRB2 Protein, PDB code: 6sdf was solved by A.A.Bolgov, S.A.Korban, D.A.Luzik, O.N.Rogacheva, V.A.Zhemkov, M.Kim, N.R.Skrynnikov, I.B.Bezprozvanny, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.21 / 2.50
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	97.731, 97.731, 51.032, 90.00, 90.00, 120.00
R / Rfree (%)	16 / 21

The binding sites of Chlorine atom in the N-Terminal SH3 Domain of GRB2 Protein (pdb code 6sdf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the N-Terminal SH3 Domain of GRB2 Protein, PDB code: 6sdf:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the N-Terminal SH3 Domain of GRB2 Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of N-Terminal SH3 Domain of GRB2 Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl106 b:43.2 occ:1.00 O A:HOH248 2.7 34.2 1.0 CD A:PRO60 3.5 6.1 1.0 CD2 A:HIS59 3.6 9.7 1.0 NE2 A:HIS59 3.8 8.9 1.0 CG A:PRO60 3.9 10.5 1.0 CG A:HIS59 4.6 8.8 1.0 CE1 A:HIS59 4.8 6.6 1.0 N A:PRO60 4.9 8.4 1.0

Chlorine binding site 2 out of 3 in the N-Terminal SH3 Domain of GRB2 Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of N-Terminal SH3 Domain of GRB2 Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl107 b:46.9 occ:1.00 O A:HOH236 2.6 35.0 1.0 O A:HOH241 3.0 28.6 1.0 O A:HOH218 3.2 5.7 1.0 N A:SER19 3.4 11.7 1.0 OG A:SER19 3.9 12.7 1.0 CB A:SER19 3.9 6.9 1.0 CA A:LEU18 4.1 2.8 1.0 CD A:LYS45 4.1 23.9 1.0 O A:GLU17 4.1 5.4 1.0 CD1 A:LEU18 4.1 2.2 1.0 C A:LEU18 4.2 8.8 1.0 CA A:SER19 4.2 6.9 1.0 O A:HOH245 4.5 25.1 1.0 O A:SER19 4.6 4.0 1.0 CB A:ALA12 4.8 4.8 1.0 C A:GLU17 4.9 6.1 1.0 C A:SER19 4.9 9.7 1.0 N A:LEU18 5.0 8.6 1.0 CE A:LYS45 5.0 31.1 1.0 CB A:LYS45 5.0 9.2 1.0 CG A:LEU18 5.0 4.1 1.0

Chlorine binding site 3 out of 3 in the N-Terminal SH3 Domain of GRB2 Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of N-Terminal SH3 Domain of GRB2 Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:33.5 occ:0.54 OG1 B:THR13 2.8 27.1 1.0 O B:HOH227 2.9 28.1 0.3 OE2 B:GLU17 3.2 16.8 1.0 CB B:ALA14 3.9 15.1 1.0 CD B:GLU17 4.1 16.0 1.0 CB B:THR13 4.2 18.8 1.0 OE1 B:GLU17 4.4 18.9 1.0 C B:THR13 4.4 23.7 1.0 N B:ALA14 4.5 20.5 1.0 O B:THR13 4.6 32.9 1.0 CA B:ALA14 4.8 22.6 1.0 CA B:THR13 4.9 25.9 1.0

A.A.Bolgov, S.A.Korban, D.A.Luzik, O.N.Rogacheva, V.A.Zhemkov, M.Kim, N.R.Skrynnikov, I.B.Bezprozvanny. N-Terminal SH3-Domain of Human GRB2 Protein To Be Published.