Chlorine in PDB 7ocb: Crystal Structure of SPINDLIN1 in Complex with the Inhibitor XY49-92B

The structure of Crystal Structure of SPINDLIN1 in Complex with the Inhibitor XY49-92B, PDB code: 7ocb was solved by C.Johansson, T.Krojer, K.Park, Y.Xiong, J.Jin, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.66 / 1.42
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	115.477, 115.477, 43.721, 90, 90, 90
R / Rfree (%)	18 / 20.6

The structure of Crystal Structure of SPINDLIN1 in Complex with the Inhibitor XY49-92B also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of SPINDLIN1 in Complex with the Inhibitor XY49-92B (pdb code 7ocb). 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 SPINDLIN1 in Complex with the Inhibitor XY49-92B, PDB code: 7ocb:

Chlorine binding site 1 out of 1 in the Crystal Structure of SPINDLIN1 in Complex with the Inhibitor XY49-92B


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 SPINDLIN1 in Complex with the Inhibitor XY49-92B within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:21.8 occ:1.00 H B:GLU142 2.4 24.7 1.0 HA B:PHE141 3.0 25.4 1.0 O B:HOH456 3.2 19.6 1.0 O B:HOH490 3.2 27.1 1.0 O B:HOH442 3.2 27.1 1.0 N B:GLU142 3.3 20.6 1.0 HB2 B:PHE141 3.3 20.4 1.0 HB3 B:GLU142 3.5 31.9 1.0 C4 B:V88301 3.6 15.8 1.0 HB2 B:GLU142 3.6 31.9 1.0 C3 B:V88301 3.7 14.1 1.0 CA B:PHE141 3.7 21.2 1.0 N2 B:V88301 3.8 15.3 1.0 C18 B:V88301 3.9 14.4 1.0 CB B:PHE141 3.9 17.0 1.0 CB B:GLU142 3.9 26.6 1.0 H24 B:V88301 3.9 23.6 1.0 C13 B:V88301 4.0 14.7 1.0 C B:PHE141 4.0 22.7 1.0 N B:V88301 4.1 19.3 1.0 N5 B:V88301 4.1 13.9 1.0 HB3 B:PHE141 4.1 20.4 1.0 H28 B:V88301 4.2 25.6 1.0 C2 B:V88301 4.2 15.9 1.0 CA B:GLU142 4.2 26.8 1.0 H5 B:V88301 4.2 31.3 1.0 H7 B:V88301 4.4 37.3 1.0 O B:HOH425 4.5 18.0 1.0 H4 B:V88301 4.5 23.1 1.0 C19 B:V88301 4.5 12.6 1.0 H3 B:V88301 4.6 19.1 1.0 C5 B:V88301 4.7 26.1 1.0 N3 B:V88301 4.7 16.0 1.0 O B:GLU142 4.8 30.3 1.0 C1 B:V88301 4.8 15.7 1.0 C15 B:V88301 4.9 19.7 1.0 C20 B:V88301 4.9 13.0 1.0 O B:MET140 4.9 19.1 0.3 O B:MET140 4.9 19.9 0.7 OE1 B:GLU142 4.9 36.1 1.0 HA B:GLU142 5.0 32.2 1.0 N4 B:V88301 5.0 17.0 1.0

C.Johansson, T.Krojer, K.Park, Y.Xiong, J.Jin, U.Oppermann. Crystal Structure of SPINDLIN1 in Complex with the Inhibitor XY49-92B To Be Published.