Chlorine in PDB 4my6: Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor

The structure of Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor, PDB code: 4my6 was solved by M.Barone, Y.Roske, R.Kuehne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.06 / 1.70
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.830, 131.420, 35.560, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 23.8

The structure of Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor also contains other interesting chemical elements:

Bromine

(Br)

2 atoms

The binding sites of Chlorine atom in the Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor (pdb code 4my6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor, PDB code: 4my6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:13.3 occ:1.00 CL A:3VH201 0.0 13.3 1.0 C15 A:3VH201 1.7 10.8 1.0 C19 A:3VH201 2.7 10.7 1.0 C14 A:3VH201 2.7 9.9 1.0 C13 A:3VH201 3.1 9.7 1.0 CG1 A:VAL86 3.5 12.0 1.0 C12 A:3VH201 3.6 9.9 1.0 C A:TRP80 3.8 9.5 1.0 CG A:GLN79 3.9 11.3 1.0 CA A:TRP80 3.9 9.5 1.0 O A:HOH380 4.0 27.3 1.0 O A:TRP80 4.0 9.9 1.0 C18 A:3VH201 4.0 9.8 1.0 N A:TRP80 4.0 9.1 1.0 C30 A:3VH201 4.0 10.6 1.0 C16 A:3VH201 4.0 10.4 1.0 CD A:GLN79 4.0 12.6 1.0 OE1 A:GLN79 4.0 14.2 1.0 O5 A:3VH201 4.0 10.6 1.0 N A:ARG81 4.2 9.5 1.0 CB A:ARG81 4.2 10.8 1.0 CB A:GLN79 4.2 9.8 1.0 C A:GLN79 4.3 9.3 1.0 CD A:ARG81 4.4 10.2 1.0 C17 A:3VH201 4.5 10.5 1.0 N4 A:3VH201 4.6 9.7 1.0 O A:GLN79 4.6 9.3 1.0 C11 A:3VH201 4.6 10.5 1.0 NE2 A:GLN79 4.6 11.9 1.0 C32 A:3VH201 4.7 10.1 1.0 CA A:ARG81 4.7 10.5 1.0 CG A:ARG81 4.7 11.4 1.0 CB A:VAL86 4.7 11.4 1.0 N5 A:3VH201 4.7 10.6 1.0 CG2 A:VAL86 4.8 11.6 1.0 NH2 A:ARG81 4.9 10.1 1.0 CA A:GLN79 5.0 9.0 1.0

Chlorine binding site 2 out of 2 in the Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Enah-EVH1 Domain in Complex with Non-Peptidic Low-Molecular Weight Competitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:14.0 occ:1.00 CL B:3VH201 0.0 14.0 1.0 C15 B:3VH201 1.8 13.9 1.0 C19 B:3VH201 2.7 13.9 1.0 C14 B:3VH201 2.8 15.0 1.0 C13 B:3VH201 3.2 15.9 1.0 C12 B:3VH201 3.5 17.4 1.0 CG1 B:VAL86 3.6 10.3 1.0 CG B:GLN79 3.7 13.6 1.0 CD B:GLN79 3.9 16.5 1.0 C30 B:3VH201 3.9 17.6 1.0 O5 B:3VH201 4.0 17.3 1.0 C B:TRP80 4.0 9.3 1.0 CA B:TRP80 4.0 8.8 1.0 OE1 B:GLN79 4.0 18.8 1.0 C18 B:3VH201 4.0 12.6 1.0 C16 B:3VH201 4.1 14.3 1.0 N B:TRP80 4.1 8.9 1.0 C B:GLN79 4.3 9.8 1.0 N B:ARG81 4.3 10.0 1.0 O B:TRP80 4.3 9.8 1.0 CB B:GLN79 4.3 11.6 1.0 CD B:ARG81 4.4 14.3 1.0 CB B:ARG81 4.4 12.8 1.0 O B:GLN79 4.4 10.7 1.0 N4 B:3VH201 4.5 16.2 1.0 C17 B:3VH201 4.5 13.6 1.0 C32 B:3VH201 4.6 17.6 1.0 NE2 B:GLN79 4.6 17.8 1.0 C11 B:3VH201 4.6 18.5 1.0 N5 B:3VH201 4.7 18.6 1.0 CB B:VAL86 4.7 9.6 1.0 CG2 B:VAL86 4.8 9.8 1.0 CG B:ARG81 4.8 13.9 1.0 CB B:ASN71 4.8 13.8 1.0 CA B:ARG81 4.9 12.1 1.0 C29 B:3VH201 5.0 17.2 1.0 O B:HOH301 5.0 11.9 1.0 CA B:GLN79 5.0 10.6 1.0

R.Opitz, M.Mueller, C.Reuter, M.Barone, A.Soike, Y.Roske, K.Piotukh, P.Huy, M.Beerbaum, B.Wiesner, M.Beyermann, P.Schmieder, H.Oschkinat, H.G.Schmalz, R.Kuehne. Proms: A Modular Toolkit to Inhibit Proline-Rich Motif Mediated 1 Protein-Protein Interactions To Be Published.