Chlorine in PDB 2ic5: Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P.

The structure of Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P., PDB code: 2ic5 was solved by E.Ugochukwu, X.Yang, Y.Zao, J.Elkins, C.Gileadi, N.Burgess, S.Colebrook, O.Gileadi, O.Fedorov, G.Bunkoczi, M.Sundstrom, C.Arrowsmith, J.Weigelt, A.Edwards, F.Von Delft, D.Doyle, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.31 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.755, 81.583, 84.381, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 20

The structure of Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P. also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P. (pdb code 2ic5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P., PDB code: 2ic5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P.


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 Human RAC3 Grown in the Presence of Gpp(Nh)P. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:66.2 occ:1.00 O A:HOH638 3.4 33.2 1.0 O A:SER151 3.5 32.7 1.0 CD A:ARG147 3.8 59.8 1.0 CB A:ALA146 3.9 21.7 1.0 O A:HOH634 4.1 29.0 1.0 O A:HOH724 4.1 46.4 1.0 N A:LYS153 4.3 24.6 1.0 CD1 A:LEU143 4.3 33.3 1.0 C A:ALA146 4.4 28.4 1.0 N A:ARG147 4.4 27.5 1.0 CA A:LYS153 4.4 24.5 1.0 C A:SER151 4.4 28.5 1.0 C A:VAL152 4.4 27.7 1.0 N A:TYR154 4.4 24.8 1.0 O A:VAL152 4.5 25.6 1.0 C A:LYS153 4.5 28.6 1.0 CG A:ARG147 4.6 41.3 1.0 O A:ALA146 4.6 26.8 1.0 NH1 A:ARG147 4.6 61.4 1.0 CA A:ARG147 4.7 24.8 1.0 CA A:ALA146 4.8 23.0 1.0 CB A:TYR154 4.9 23.4 1.0 O A:LEU143 4.9 25.2 1.0 CB A:SER151 4.9 26.2 1.0 NE A:ARG147 5.0 62.0 1.0 OG A:SER151 5.0 35.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:36.0 occ:1.00 O B:HOH505 2.8 24.9 1.0 NZ B:LYS16 3.1 26.3 1.0 N B:GLY60 3.2 30.1 1.0 NE2 B:GLN61 3.3 50.5 1.0 O3B B:GDP502 3.4 27.5 1.0 CA B:GLY12 3.6 29.9 1.0 OE1 B:GLN61 3.7 35.0 1.0 CE B:LYS16 3.9 27.1 1.0 CD B:GLN61 3.9 54.9 1.0 O B:HOH503 3.9 22.2 1.0 CA B:ALA59 4.0 28.1 1.0 CA B:GLY60 4.0 33.5 1.0 C B:ALA59 4.0 32.5 1.0 O B:THR58 4.1 30.9 1.0 PB B:GDP502 4.2 20.0 1.0 O2B B:GDP502 4.3 18.3 1.0 N B:GLY12 4.3 25.5 1.0 MG B:MG301 4.4 24.6 1.0 O1B B:GDP502 4.4 20.9 1.0 CE2 B:PHE37 4.4 50.0 1.0 N B:ALA13 4.5 29.8 1.0 O B:ASP11 4.6 25.2 1.0 C B:GLY12 4.6 28.3 1.0 C B:ASP11 4.7 26.5 1.0 N B:GLN61 4.8 28.6 1.0 C B:GLY60 4.9 31.9 1.0 CB B:ALA59 4.9 27.9 1.0 C B:THR58 4.9 29.1 1.0 N B:ALA59 4.9 27.8 1.0 O B:GLY10 5.0 26.8 1.0

X.Yang, E.Ugochukwu, J.Elkins, D.Doyle. Crystal Structure of Human RAC3 Grown in the Presence of Gpp(Nh)P. To Be Published.