Chlorine in PDB 5mxd: Bace-1 in Complex with Ligand 32397778

All present enzymatic activity of Bace-1 in Complex with Ligand 32397778:
3.4.23.46;

The structure of Bace-1 in Complex with Ligand 32397778, PDB code: 5mxd was solved by R.Alexander, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	113.90 / 2.52
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	232.913, 100.737, 59.045, 90.00, 102.03, 90.00
R / Rfree (%)	22.7 / 28.1

The binding sites of Chlorine atom in the Bace-1 in Complex with Ligand 32397778 (pdb code 5mxd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Bace-1 in Complex with Ligand 32397778, PDB code: 5mxd:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Bace-1 in Complex with Ligand 32397778


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bace-1 in Complex with Ligand 32397778 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:64.3 occ:1.00 CG2 A:THR231 3.8 56.1 1.0 N A:ASN233 3.8 56.5 1.0 N A:THR232 4.0 56.5 1.0 CB A:ASN233 4.2 62.3 1.0 CB A:THR232 4.2 61.6 1.0 CG A:ASN233 4.3 66.7 1.0 CD A:ARG235 4.3 72.3 1.0 CA A:THR232 4.5 57.9 1.0 ND2 A:ASN233 4.6 70.5 1.0 CA A:ASN233 4.6 56.5 1.0 CG A:ARG235 4.6 69.7 1.0 OD1 A:ASN233 4.6 67.7 1.0 C A:THR232 4.7 55.7 1.0 OG1 A:THR232 4.8 64.3 1.0 NE A:ARG235 4.8 79.5 1.0 OG A:SER325 4.8 72.2 1.0 C A:THR231 4.9 54.1 1.0 CB A:THR231 5.0 55.2 1.0 CA A:THR231 5.0 55.0 1.0

Chlorine binding site 2 out of 3 in the Bace-1 in Complex with Ligand 32397778


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bace-1 in Complex with Ligand 32397778 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl702 b:70.3 occ:1.00 CD B:ARG235 3.9 96.0 1.0 N B:ASN233 4.0 77.9 1.0 CG2 B:THR231 4.0 61.6 1.0 CB B:ASN233 4.1 77.1 1.0 CG B:ASN233 4.1 80.5 1.0 N B:THR232 4.1 74.0 1.0 OD1 B:ASN233 4.2 85.6 1.0 CB B:THR232 4.4 76.7 1.0 CG B:ARG235 4.5 89.1 1.0 NE B:ARG235 4.6 0.8 1.0 ND2 B:ASN233 4.6 81.1 1.0 CA B:THR232 4.7 76.9 1.0 CA B:ASN233 4.7 73.6 1.0 OG1 B:THR232 4.8 76.7 1.0 C B:THR232 4.8 71.5 1.0

Chlorine binding site 3 out of 3 in the Bace-1 in Complex with Ligand 32397778


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bace-1 in Complex with Ligand 32397778 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl702 b:63.1 occ:1.00 CG2 C:THR231 3.8 61.2 1.0 N C:THR232 3.8 51.4 1.0 N C:ASN233 3.9 55.1 1.0 CB C:THR232 4.0 51.6 1.0 CG C:ASN233 4.1 63.6 1.0 CB C:ASN233 4.2 57.4 1.0 OD1 C:ASN233 4.3 65.7 1.0 OG1 C:THR232 4.3 53.4 1.0 CA C:THR232 4.4 49.1 1.0 ND2 C:ASN233 4.4 68.4 1.0 C3 C:III701 4.5 72.9 1.0 C C:THR231 4.6 51.0 1.0 CD C:ARG235 4.6 69.0 1.0 CA C:THR231 4.6 56.1 1.0 C C:THR232 4.7 49.9 1.0 CA C:ASN233 4.7 52.9 1.0 CB C:THR231 4.8 58.8 1.0

R.Alexander, R.Alexander. N/A N/A.