Chlorine in PDB 6dn7: Spry Domain-Containing Socs Box Protein 2 Complexed with Wdinnn(Bal) Cyclic Peptide Inhibitor

The structure of Spry Domain-Containing Socs Box Protein 2 Complexed with Wdinnn(Bal) Cyclic Peptide Inhibitor, PDB code: 6dn7 was solved by R.H.P.Law, T.T.Caradoc-Davies, R.S.Norton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.61 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.690, 65.440, 69.180, 90.00, 103.60, 90.00
R / Rfree (%)	19.7 / 21.3

The binding sites of Chlorine atom in the Spry Domain-Containing Socs Box Protein 2 Complexed with Wdinnn(Bal) Cyclic Peptide Inhibitor (pdb code 6dn7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Spry Domain-Containing Socs Box Protein 2 Complexed with Wdinnn(Bal) Cyclic Peptide Inhibitor, PDB code: 6dn7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Spry Domain-Containing Socs Box Protein 2 Complexed with Wdinnn(Bal) Cyclic Peptide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Spry Domain-Containing Socs Box Protein 2 Complexed with Wdinnn(Bal) Cyclic Peptide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:13.6 occ:1.00 O A:HOH538 3.1 11.6 1.0 O A:HOH682 3.3 27.5 1.0 N A:ALA131 3.3 10.2 1.0 O A:HOH524 3.4 13.4 1.0 CA A:THR130 3.6 8.8 1.0 CB A:THR130 3.7 11.9 1.0 C A:THR130 4.0 10.6 1.0 CG2 A:THR130 4.3 13.2 1.0 CB A:ALA131 4.3 12.0 1.0 CA A:ALA131 4.3 10.5 1.0 O A:HOH672 4.4 17.8 1.0 NE2 A:HIS112 4.4 11.0 1.0 CD2 A:HIS112 4.7 10.3 1.0 O A:ALA131 4.8 13.5 1.0 C A:ALA131 4.8 12.1 1.0 O A:TYR129 4.8 9.8 1.0 O A:HOH529 4.8 11.5 1.0 OG1 A:THR130 4.9 12.0 1.0 O A:HOH708 4.9 41.9 1.0 N A:THR130 5.0 9.6 1.0 O A:HOH639 5.0 34.8 1.0

Chlorine binding site 2 out of 2 in the Spry Domain-Containing Socs Box Protein 2 Complexed with Wdinnn(Bal) Cyclic Peptide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Spry Domain-Containing Socs Box Protein 2 Complexed with Wdinnn(Bal) Cyclic Peptide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:13.4 occ:1.00 O C:HOH510 3.1 10.4 1.0 O C:HOH611 3.2 23.2 1.0 O C:HOH619 3.2 9.1 0.2 N C:ALA127 3.3 11.1 1.0 O C:HOH500 3.5 13.9 1.0 CA C:THR126 3.7 9.9 1.0 CB C:THR126 3.7 12.9 1.0 C C:THR126 4.0 12.5 1.0 CB C:ALA127 4.2 13.8 1.0 CG2 C:THR126 4.3 14.1 1.0 CA C:ALA127 4.3 11.8 1.0 NE2 C:HIS108 4.4 10.9 1.0 O C:HOH619 4.4 11.8 0.8 O C:HOH444 4.5 11.4 0.3 CD2 C:HIS108 4.6 11.2 1.0 O C:HOH472 4.8 10.8 1.0 C C:ALA127 4.8 13.3 1.0 O C:ALA127 4.8 14.2 1.0 O C:TYR125 4.8 9.9 1.0 OG1 C:THR126 4.9 13.5 1.0 O C:HOH444 4.9 3.0 0.1 O C:HOH420 5.0 21.8 1.0 N C:THR126 5.0 10.5 1.0

M.M.Sadek, N.Barlow, E.W.W.Leung, B.J.Williams-Noonan, B.K.Yap, F.M.Shariff, T.T.Caradoc-Davies, S.E.Nicholson, D.K.Chalmers, P.E.Thompson, R.H.P.Law, R.S.Norton. A Cyclic Peptide Inhibitor of the Inos-Spsb Protein-Protein Interaction As A Potential Anti-Infective Agent. Acs Chem. Biol. V. 13 2930 2018.
ISSN: ESSN 1554-8937
PubMed: 30226743
DOI: 10.1021/ACSCHEMBIO.8B00561