Chlorine in PDB 1ojc: Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide

All present enzymatic activity of Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide:
1.4.3.4;

The structure of Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide, PDB code: 1ojc was solved by C.Binda, D.E.Edmondson, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.4
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	131.690, 223.080, 86.470, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.2

The binding sites of Chlorine atom in the Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide (pdb code 1ojc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide, PDB code: 1ojc:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1503 b:27.2 occ:1.00 CL3 A:LAZ1503 0.0 27.2 1.0 C3 A:LAZ1503 1.8 24.3 1.0 C4 A:LAZ1503 2.8 23.7 1.0 C2 A:LAZ1503 2.8 23.7 1.0 O A:ILE199 3.4 14.9 1.0 CD2 A:LEU171 3.5 12.2 1.0 CA A:ILE199 3.5 14.9 1.0 O A:HOH2112 3.6 15.7 1.0 NE2 A:GLN206 3.6 11.1 1.0 OH A:TYR326 3.8 14.6 1.0 C A:ILE199 3.8 14.7 1.0 CZ A:TYR326 3.9 13.9 1.0 CB A:ILE199 3.9 15.0 1.0 C5 A:LAZ1503 4.1 23.5 1.0 C1 A:LAZ1503 4.1 23.5 1.0 O A:ILE198 4.2 14.7 1.0 CE1 A:TYR326 4.2 13.4 1.0 CG2 A:ILE199 4.2 15.8 1.0 CE2 A:TYR326 4.3 13.2 1.0 CG A:LEU171 4.3 11.8 1.0 CD A:GLN206 4.5 12.8 1.0 C6 A:LAZ1503 4.6 23.2 1.0 N A:ILE199 4.6 14.6 1.0 C A:ILE198 4.8 14.3 1.0 CD1 A:TYR326 4.9 13.1 1.0 CD2 A:TYR326 4.9 12.5 1.0

Chlorine binding site 2 out of 2 in the Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Monoamine Oxidase B in Complex with N-(2-Aminoethyl)-P-Chlorobenzamide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1498 b:27.0 occ:1.00 CL3 B:LAZ1498 0.0 27.0 1.0 C3 B:LAZ1498 1.7 24.2 1.0 C2 B:LAZ1498 2.7 23.7 1.0 C4 B:LAZ1498 2.7 23.7 1.0 O B:ILE199 3.5 15.0 1.0 CD2 B:LEU171 3.5 11.9 1.0 CA B:ILE199 3.6 14.9 1.0 O B:HOH2106 3.6 11.3 1.0 NE2 B:GLN206 3.6 11.0 1.0 OH B:TYR326 3.8 14.3 1.0 CZ B:TYR326 3.8 13.8 1.0 C B:ILE199 3.9 14.8 1.0 CB B:ILE199 4.0 14.9 1.0 C5 B:LAZ1498 4.0 23.6 1.0 C1 B:LAZ1498 4.0 23.4 1.0 CE1 B:TYR326 4.2 13.2 1.0 O B:ILE198 4.2 14.8 1.0 CE2 B:TYR326 4.2 13.2 1.0 CG2 B:ILE199 4.3 15.9 1.0 CG B:LEU171 4.3 11.7 1.0 CD B:GLN206 4.4 13.0 1.0 C6 B:LAZ1498 4.5 23.3 1.0 N B:ILE199 4.7 14.5 1.0 CD1 B:TYR326 4.8 13.0 1.0 CD2 B:TYR326 4.9 12.5 1.0 C B:ILE198 4.9 14.3 1.0

C.Binda, M.Li, F.Hubalek, N.Restelli, D.E.Edmondson, A.Mattevi. Insights Into the Mode of Inhibition of Human Mitochondrial Monoamine Oxidase B From High-Resolution Crystal Structures Proc.Natl.Acad.Sci.Usa V. 100 9750 2003.
ISSN: ISSN 0027-8424
PubMed: 12913124
DOI: 10.1073/PNAS.1633804100