Chlorine in PDB 5ncp: Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh

The structure of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh, PDB code: 5ncp was solved by M.Barone, Y.Roske, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.14 / 1.65
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	44.141, 141.367, 34.706, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 20.8

The binding sites of Chlorine atom in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh (pdb code 5ncp). 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 Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh, PDB code: 5ncp:

Chlorine binding site 1 out of 1 in the Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Enah EVH1 in Complex with Ac-[2-Cl-F]-[Prom-2]-[Prom-12]-Oh within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:29.1 occ:1.00 CL A:EG5201 0.0 29.1 1.0 C15 A:EG5201 1.8 24.2 1.0 H7 A:EG5201 2.7 35.5 1.0 C19 A:EG5201 2.7 19.5 1.0 C14 A:EG5201 2.8 18.4 1.0 H6 A:EG5201 2.8 26.8 1.0 H1 A:EG5201 2.8 23.5 1.0 HG3 A:ARG81 2.9 54.4 1.0 HG13 A:VAL86 2.9 32.8 1.0 HG2 A:ARG81 3.0 54.4 1.0 HB2 A:GLN79 3.1 28.4 1.0 C13 A:EG5201 3.1 22.3 1.0 HG3 A:GLN79 3.1 44.8 1.0 H12 A:EG5201 3.3 28.5 1.0 C12 A:EG5201 3.4 29.6 1.0 CG A:ARG81 3.4 45.3 1.0 HG11 A:VAL86 3.5 32.8 1.0 HE22 A:GLN79 3.5 80.6 1.0 HA A:TRP80 3.5 22.3 1.0 CG1 A:VAL86 3.6 27.3 1.0 HD3 A:ARG81 3.7 64.7 1.0 CG A:GLN79 3.8 37.3 1.0 CB A:GLN79 3.8 23.7 1.0 NE2 A:GLN79 3.9 67.2 1.0 C A:TRP80 4.0 22.3 1.0 N A:TRP80 4.0 18.2 1.0 HG12 A:VAL86 4.0 32.8 1.0 CA A:TRP80 4.0 18.6 1.0 C18 A:EG5201 4.0 22.6 1.0 CD A:GLN79 4.1 45.8 1.0 C16 A:EG5201 4.1 22.9 1.0 CD A:ARG81 4.1 53.9 1.0 H A:TRP80 4.2 21.8 1.0 H5 A:EG5201 4.2 26.8 1.0 O A:TRP80 4.2 21.4 1.0 O5 A:EG5201 4.2 66.7 1.0 C A:GLN79 4.2 22.5 1.0 C30 A:EG5201 4.3 23.7 1.0 N A:ARG81 4.4 24.8 1.0 N4 A:EG5201 4.4 50.4 1.0 HE21 A:GLN79 4.4 80.6 1.0 HH11 A:ARG81 4.4 46.7 1.0 C11 A:EG5201 4.5 31.9 1.0 HB3 A:GLN79 4.5 28.4 1.0 C17 A:EG5201 4.5 22.0 1.0 HB3 A:ASN71 4.6 24.6 1.0 O A:GLN79 4.6 19.6 1.0 H A:ARG81 4.6 29.7 1.0 HG2 A:GLN79 4.6 44.8 1.0 C32 A:EG5201 4.7 73.8 1.0 CB A:ARG81 4.7 28.4 1.0 HG22 A:VAL86 4.7 36.8 1.0 CA A:GLN79 4.7 17.2 1.0 N5 A:EG5201 4.7 23.2 1.0 HB2 A:ASN71 4.8 24.6 1.0 HD2 A:ARG81 4.8 64.7 1.0 H2 A:EG5201 4.9 27.1 1.0 CB A:VAL86 4.9 24.8 1.0 NE A:ARG81 4.9 50.1 1.0 OE1 A:GLN79 4.9 38.2 1.0 NH1 A:ARG81 4.9 38.9 1.0 H4 A:EG5201 4.9 27.5 1.0 H13 A:EG5201 4.9 28.5 1.0 CA A:ARG81 4.9 24.7 1.0 HA A:ARG81 5.0 29.7 1.0

M.Barone, M.Muller, R.Opitz, Y.Roske, A.Soicke, S.Chiha, S.Klein, H.G.Schmalz, R.Kuhne. Ena/Vasp As Possible Antimetastatic Target Addressed By Structure-Optimized Prom Scaffolds To Be Published.