Chlorine in PDB 1oot: Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution

The structure of Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution, PDB code: 1oot was solved by P.Kursula, F.Lehmann, Y.H.Song, M.Wilmanns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.39
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	39.930, 39.930, 69.490, 90.00, 90.00, 120.00
R / Rfree (%)	13.2 / 17

The binding sites of Chlorine atom in the Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution (pdb code 1oot). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution, PDB code: 1oot:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution


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 the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl111 b:31.0 occ:1.00 O A:HOH129 2.6 46.7 1.0 N A:GLU47 3.2 10.7 1.0 O A:GLU47 3.6 15.3 1.0 CA A:ARG46 3.6 12.1 1.0 O A:HOH146 3.7 26.1 1.0 C A:ARG46 3.9 9.9 1.0 CB A:ARG46 4.0 14.4 1.0 O A:HOH154 4.0 35.1 1.0 CA A:GLU47 4.1 12.1 1.0 C A:GLU47 4.3 12.6 1.0 CB A:GLU47 4.3 15.4 1.0 CG A:ARG46 4.5 17.4 1.0 O A:GLY45 4.6 14.9 1.0 O A:HOH150 4.6 30.0 1.0 CG A:GLU47 4.8 17.5 1.0 N A:ARG46 4.8 11.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution


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 the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl112 b:46.8 occ:1.00 O A:HOH145 3.6 33.3 1.0 N A:ALA11 3.6 16.0 1.0 CD1 A:PHE10 3.9 14.5 1.0 CA A:PHE10 4.0 12.2 1.0 O A:SER9 4.2 15.7 1.0 OH A:TYR54 4.2 23.0 1.0 C A:PHE10 4.3 13.2 1.0 O A:HOH121 4.4 30.3 1.0 CB A:ALA11 4.4 22.9 1.0 CE2 A:TYR54 4.4 21.4 1.0 CE1 A:PHE10 4.6 14.3 1.0 CA A:ALA11 4.6 18.8 1.0 O A:HOH134 4.7 19.1 1.0 CG A:PHE10 4.8 12.1 1.0 CZ A:TYR54 4.8 20.7 1.0 O A:HOH169 4.8 38.8 0.5 CB A:PHE10 4.8 12.3 1.0 C A:SER9 4.9 12.8 1.0 N A:PHE10 4.9 11.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl113 b:45.2 occ:1.00 N A:GLN35 3.3 14.7 1.0 O A:HOH135 3.4 22.6 1.0 CA A:SER34 4.0 14.4 1.0 CB A:GLN35 4.0 20.7 1.0 CA A:GLN35 4.2 15.6 1.0 C A:SER34 4.2 13.3 1.0 O A:HOH168 4.2 47.0 1.0 OG A:SER34 4.3 15.6 1.0 O A:HOH118 4.4 28.2 1.0 O A:HOH156 4.5 43.6 1.0 CB A:SER34 4.5 14.2 1.0 O A:ASP33 4.6 22.0 1.0 C A:GLN35 4.9 14.7 1.0 N A:ASN36 4.9 11.9 1.0

P.Kursula, F.Lehmann, Y.H.Song, M.Wilmanns. Crystal Structure of the SH3 Domain From A S. Cerevisiae Hypothetical 40.4 kDa Protein at 1.39 A Resolution To Be Published.