Chlorine in PDB 3pfv: Crystal Structure of Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide

The structure of Crystal Structure of Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide, PDB code: 3pfv was solved by A.Chaikuad, K.Guo, C.D.O.Cooper, V.Ayinampudi, T.Krojer, J.R.C.Muniz, M.Vollmar, P.Canning, O.Gileadi, F.Von Delft, C.H.Arrowsmith, J.Weigelt, A.M.Edwards, C.Bountra, A.Bullock, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.47 / 2.27
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	60.063, 98.934, 61.978, 90.00, 110.63, 90.00
R / Rfree (%)	21.6 / 26.2

The structure of Crystal Structure of Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide (pdb code 3pfv). 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 Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide, PDB code: 3pfv:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide


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 Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3 b:67.3 occ:1.00 O A:HOH409 2.6 46.1 1.0 O A:HOH410 2.6 30.3 1.0 N A:TYR106 2.9 46.6 1.0 CB A:TYR106 3.5 41.7 1.0 ND2 A:ASN104 3.5 64.7 1.0 N A:GLU105 3.7 62.3 1.0 CB A:GLU105 3.7 72.9 1.0 CA A:TYR106 3.7 45.5 1.0 C A:GLU105 3.8 57.0 1.0 CA A:GLU105 3.9 66.4 1.0 CZ A:PHE166 4.0 47.8 1.0 CB A:THR190 4.1 43.3 1.0 CG A:ASN104 4.1 67.9 1.0 OG1 A:THR190 4.2 42.0 1.0 OD1 A:ASN104 4.2 69.6 1.0 O A:HOH372 4.4 40.6 1.0 CE1 A:PHE166 4.4 46.2 1.0 CG2 A:ILE191 4.5 43.6 1.0 C A:ASN104 4.5 63.2 1.0 CG A:GLU105 4.8 83.1 1.0 N A:THR190 4.9 38.7 1.0 O A:GLU105 5.0 56.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide


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 Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl4 b:60.7 occ:1.00 O A:HOH445 3.4 50.2 1.0 N A:ASN313 3.5 67.7 1.0 N A:HIS312 3.6 56.2 1.0 N A:LYS314 3.9 62.0 1.0 O A:HOH407 4.0 46.6 1.0 CA A:HIS312 4.2 62.4 1.0 CG A:LYS314 4.2 53.2 1.0 CB A:ASN313 4.3 70.3 1.0 CB A:LYS314 4.3 57.9 1.0 CA A:ASN313 4.3 70.5 1.0 C A:HIS312 4.3 64.5 1.0 CB A:HIS312 4.3 68.6 1.0 C A:ASN313 4.6 67.3 1.0 C A:PRO311 4.6 44.9 1.0 CD A:LYS314 4.7 52.2 1.0 CA A:LYS314 4.7 54.5 1.0 CA A:PRO311 4.8 41.4 1.0 CE A:LYS314 4.8 49.2 1.0 OD2 C:ASP1072 5.0 55.0 1.0

A.Chaikuad, K.Guo, C.D.O.Cooper, V.Ayinampudi, T.Krojer, J.R.C.Muniz, M.Vollmar, P.Canning, O.Gileadi, F.Von Delft, C.H.Arrowsmith, J.Weigelt, A.M.Edwards, C.Bountra, A.Bullock, Structural Genomics Consortium (Sgc). Crystal Structure of Cbl-B Tkb Domain in Complex with Egfr PY1069 Peptide To Be Published.