Chlorine in PDB 4iio: Crystal Structure of the Second SH3 Domain of ITSN2 Bound with A Synthetic Peptide

The structure of Crystal Structure of the Second SH3 Domain of ITSN2 Bound with A Synthetic Peptide, PDB code: 4iio was solved by A.Dong, X.Guan, H.Huang, J.Gu, W.Tempel, S.Sidhu, C.Bountra, C.H.Arrowsmith, A.M.Edwards, Y.Tong, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.86 / 1.70
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	48.053, 48.053, 112.435, 90.00, 90.00, 120.00
R / Rfree (%)	19.4 / 22.6

The binding sites of Chlorine atom in the Crystal Structure of the Second SH3 Domain of ITSN2 Bound with A Synthetic Peptide (pdb code 4iio). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the Second SH3 Domain of ITSN2 Bound with A Synthetic Peptide, PDB code: 4iio:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Second SH3 Domain of ITSN2 Bound with A Synthetic 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 the Second SH3 Domain of ITSN2 Bound with A Synthetic Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:54.6 occ:1.00 O A:HOH1169 2.9 30.1 1.0 N A:ALA911 2.9 27.0 1.0 N A:THR910 3.3 22.8 1.0 CD1 A:TRP909 3.3 20.5 1.0 CB A:ALA911 3.3 28.2 1.0 NE1 A:TRP909 3.3 20.3 1.0 CG A:TRP909 3.3 19.6 1.0 C A:TRP909 3.5 20.5 1.0 CE2 A:TRP909 3.5 19.5 1.0 CD2 A:TRP909 3.5 19.7 1.0 CA A:ALA911 3.6 28.1 1.0 O A:ALA911 3.7 29.8 1.0 CA A:TRP909 3.9 19.1 1.0 C A:THR910 3.9 26.5 1.0 O A:TRP909 4.0 19.3 1.0 CA A:THR910 4.1 25.8 1.0 C A:ALA911 4.1 30.0 1.0 CB A:TRP909 4.1 18.9 1.0 O A:HOH1141 4.2 33.2 1.0 CZ2 A:TRP909 4.2 19.4 1.0 ND2 A:ASN918 4.3 21.5 1.0 CE3 A:TRP909 4.3 19.8 1.0 O A:HOH1180 4.3 41.2 1.0 CH2 A:TRP909 4.9 20.2 1.0 CZ3 A:TRP909 4.9 19.8 1.0

X.Guan, A.Dong, H.Huang, J.Gu, W.Tempel, S.Sidhu, C.Bountra, C.H.Arrowsmith, A.M.Edwards, Y.Tong. Crystal Structure of the Second SH3 Domain of ITSN2 Bound with A Synthetic Peptide To Be Published.