Chlorine in PDB 2bxr: Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A

All present enzymatic activity of Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A:
1.4.3.4;

The structure of Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A, PDB code: 2bxr was solved by L.De Colibus, 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)	87.04 / 3.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.493, 109.599, 81.329, 90.00, 95.18, 90.00
R / Rfree (%)	19.2 / 23.8

The binding sites of Chlorine atom in the Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A (pdb code 2bxr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A, PDB code: 2bxr:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A


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 A in Complex with Clorgyline, Crystal Form A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:84.1 occ:1.00 CL08 A:MLG601 0.0 84.1 1.0 C04 A:MLG601 1.7 83.0 1.0 C03 A:MLG601 2.6 83.0 1.0 C05 A:MLG601 2.7 84.5 1.0 C02 A:MLG601 3.9 83.5 1.0 C06 A:MLG601 4.0 84.2 1.0 CD2 A:LEU337 4.1 65.8 1.0 CD2 A:LEU97 4.2 66.3 1.0 CB A:CYS323 4.4 67.7 1.0 C01 A:MLG601 4.5 83.2 1.0 O A:THR336 4.6 64.1 1.0 CG A:LEU337 4.6 62.7 1.0 CD1 A:ILE325 4.8 65.2 1.0 CZ A:PHE208 4.8 67.5 1.0 CD1 A:ILE335 4.9 63.6 1.0 SG A:CYS323 5.0 74.7 1.0

Chlorine binding site 2 out of 4 in the Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A


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 A in Complex with Clorgyline, Crystal Form A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:85.6 occ:1.00 CL07 A:MLG601 0.0 85.6 1.0 C02 A:MLG601 1.7 83.5 1.0 C03 A:MLG601 2.6 83.0 1.0 C01 A:MLG601 2.6 83.2 1.0 O09 A:MLG601 2.9 81.5 1.0 CG2 A:ILE335 3.9 63.3 1.0 CE2 A:PHE352 3.9 63.6 1.0 C04 A:MLG601 3.9 83.0 1.0 C06 A:MLG601 3.9 84.2 1.0 C17 A:MLG601 4.0 73.4 1.0 CD1 A:LEU337 4.0 62.2 1.0 CG1 A:ILE335 4.0 63.7 1.0 CE A:MET350 4.0 66.5 1.0 CG A:LEU337 4.1 62.7 1.0 CD1 A:ILE335 4.2 63.6 1.0 CD2 A:PHE352 4.2 63.4 1.0 C10 A:MLG601 4.3 79.3 1.0 C05 A:MLG601 4.4 84.5 1.0 CB A:ILE335 4.6 63.4 1.0 O A:THR336 4.7 64.1 1.0 CB A:LEU337 4.8 62.4 1.0 N13 A:MLG601 5.0 75.0 1.0

Chlorine binding site 3 out of 4 in the Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:83.8 occ:1.00 CL08 B:MLG601 0.0 83.8 1.0 C04 B:MLG601 1.7 83.6 1.0 C03 B:MLG601 2.7 83.9 1.0 C05 B:MLG601 2.8 84.2 1.0 C02 B:MLG601 4.0 83.6 1.0 C06 B:MLG601 4.1 84.2 1.0 CD2 B:LEU97 4.1 66.2 1.0 CB B:CYS323 4.1 67.7 1.0 CD1 B:ILE325 4.3 65.1 1.0 CD2 B:LEU337 4.4 65.5 1.0 O B:THR336 4.4 64.6 1.0 C01 B:MLG601 4.6 82.8 1.0 CD1 B:ILE335 4.6 63.9 1.0 SG B:CYS323 4.7 73.9 1.0 CZ B:PHE208 4.7 67.8 1.0 CG B:LEU337 4.7 62.7 1.0 CG1 B:ILE335 4.8 63.7 1.0

Chlorine binding site 4 out of 4 in the Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Monoamine Oxidase A in Complex with Clorgyline, Crystal Form A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl601 b:84.9 occ:1.00 CL07 B:MLG601 0.0 84.9 1.0 C02 B:MLG601 1.7 83.6 1.0 C03 B:MLG601 2.6 83.9 1.0 C01 B:MLG601 2.7 82.8 1.0 O09 B:MLG601 2.9 80.9 1.0 C17 B:MLG601 3.6 72.3 1.0 CG2 B:ILE335 3.8 63.5 1.0 CD1 B:LEU337 3.9 62.0 1.0 CE2 B:PHE352 3.9 63.9 1.0 C04 B:MLG601 3.9 83.6 1.0 C06 B:MLG601 4.0 84.2 1.0 CG1 B:ILE335 4.0 63.7 1.0 CD1 B:ILE335 4.0 63.9 1.0 CE B:MET350 4.1 66.6 1.0 CG B:LEU337 4.1 62.7 1.0 CD2 B:PHE352 4.2 64.0 1.0 C10 B:MLG601 4.2 79.0 1.0 C05 B:MLG601 4.5 84.2 1.0 CB B:ILE335 4.6 63.4 1.0 O B:THR336 4.7 64.6 1.0 N13 B:MLG601 4.7 75.2 1.0 CB B:LEU337 4.8 62.6 1.0

L.De Colibus, M.Li, C.Binda, A.Lustig, D.E.Edmondson, A.Mattevi. Three-Dimensional Structure of Human Monoamine Oxidase A (Mao A): Relation to the Structures of Rat Mao A and Human Mao B Proc.Natl.Acad.Sci.Usa V. 102 12864 2005.
ISSN: ISSN 0027-8424
PubMed: 16129825
DOI: 10.1073/PNAS.0505975102