Chlorine in PDB 5hky: Crystal Structure of C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form)

The structure of Crystal Structure of C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form), PDB code: 5hky was solved by S.Lovell, K.P.Battaile, N.Mehzabeen, N.Zhang, A.Cooper, P.Gao, R.P.Perez, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.20 / 1.80
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	122.810, 122.810, 58.440, 90.00, 90.00, 120.00
R / Rfree (%)	15.7 / 18

The structure of Crystal Structure of C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form) (pdb code 5hky). 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 C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form), PDB code: 5hky:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form)


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 C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:22.9 occ:1.00 O A:HOH651 3.0 27.3 1.0 N A:TRP251 3.1 19.5 1.0 O A:HOH723 3.3 35.5 1.0 O A:HOH618 3.4 22.7 1.0 O A:HOH557 3.5 28.0 1.0 CE A:LYS183 3.5 23.5 1.0 CA A:PRO250 3.7 18.6 1.0 CB A:TRP251 3.7 20.2 1.0 CB A:LYS183 3.9 18.7 1.0 C A:PRO250 3.9 18.6 1.0 CA A:TRP251 4.0 23.3 1.0 CG A:LYS183 4.1 22.2 1.0 CB A:GLN249 4.2 14.4 1.0 CB A:PRO250 4.3 19.9 1.0 CD A:LYS183 4.4 20.9 1.0 OD2 A:ASP185 4.5 38.1 1.0 O A:HOH612 4.5 29.4 1.0 CB A:ASP185 4.5 19.5 1.0 NZ A:LYS183 4.6 23.9 1.0 O A:HOH581 4.7 31.2 1.0 CA A:GLN249 4.7 17.3 1.0 N A:PRO250 4.9 17.4 1.0 CG A:ASP185 4.9 40.1 1.0 CA A:LYS183 4.9 19.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form)


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 C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:30.6 occ:1.00 O A:HOH733 3.1 36.7 1.0 O A:HOH535 3.2 30.9 1.0 NE A:ARG191 3.3 26.7 1.0 N A:ILE181 3.4 21.4 1.0 NH2 A:ARG191 3.4 29.9 1.0 O A:PHE179 3.5 28.0 1.0 CZ A:ARG191 3.8 31.2 1.0 CB A:ILE181 3.9 17.3 1.0 CG1 A:ILE181 3.9 22.4 1.0 CB A:ALA187 4.0 22.0 1.0 O A:HOH598 4.0 48.9 1.0 CA A:ARG180 4.1 29.3 1.0 CD1 A:ILE181 4.1 21.4 1.0 CA A:ILE181 4.2 18.2 1.0 C A:ARG180 4.2 22.1 1.0 CD A:ARG191 4.5 25.6 1.0 O A:HOH727 4.5 39.0 1.0 C A:PHE179 4.5 29.0 1.0 CG A:ARG191 4.5 24.8 1.0 O A:HOH575 4.6 52.8 1.0 O A:ILE181 4.7 22.3 1.0 O A:HOH740 4.8 47.0 1.0 N A:ARG180 4.8 24.4 1.0 CA A:ALA187 4.8 20.1 1.0 O A:HOH729 4.9 41.1 1.0 C A:ILE181 5.0 20.4 1.0

N.Zhang, D.Ferris, S.Lovell, A.Smalter-Hall, K.P.Battaile, A.Anbanandam, P.Gao, R.Hanzlik, R.P.Perez. Crystal Structure of C-Cbl Tkbd Domain in Complex with SPRY2 Peptide (36-60, PY55) Refined to 1.8A Resolution (P6 Form) To Be Published.