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Fluorine in PDB 2vz2: Human Mao B in Complex with Mofegiline

Enzymatic activity of Human Mao B in Complex with Mofegiline

All present enzymatic activity of Human Mao B in Complex with Mofegiline:
1.4.3.4;

Protein crystallography data

The structure of Human Mao B in Complex with Mofegiline, PDB code: 2vz2 was solved by D.Bonivento, A.Mattevi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.74 / 2.30
Space group C 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 132.026, 223.730, 86.629, 90.00, 90.00, 90.00
R / Rfree (%) 18.7 / 22.9

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Mao B in Complex with Mofegiline (pdb code 2vz2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Mao B in Complex with Mofegiline, PDB code: 2vz2:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 2vz2

Go back to Fluorine Binding Sites List in 2vz2
Fluorine binding site 1 out of 2 in the Human Mao B in Complex with Mofegiline


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Mao B in Complex with Mofegiline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1503

b:31.9
occ:1.00
F1 A:MFG1503 0.0 31.9 1.0
C2 A:MFG1503 1.3 31.2 1.0
C14 A:MFG1503 2.4 31.1 1.0
C3 A:MFG1503 2.4 30.3 1.0
CA A:ILE199 3.3 20.6 1.0
O A:ILE198 3.5 19.8 1.0
C13 A:MFG1503 3.6 31.0 1.0
C4 A:MFG1503 3.6 30.5 1.0
CD2 A:LEU171 3.7 19.0 1.0
CG2 A:ILE199 3.8 22.0 1.0
CB A:ILE199 3.8 20.9 1.0
NE2 A:GLN206 3.8 16.8 1.0
O A:ILE199 4.0 20.8 1.0
C A:ILE199 4.1 20.4 1.0
CG A:LEU171 4.1 19.5 1.0
C A:ILE198 4.1 19.6 1.0
N A:ILE199 4.1 20.0 1.0
C5 A:MFG1503 4.1 30.9 1.0
CD A:GLN206 4.6 18.5 1.0
SG A:CYS172 4.7 23.2 1.0
O A:HOH2127 4.7 13.2 1.0

Fluorine binding site 2 out of 2 in 2vz2

Go back to Fluorine Binding Sites List in 2vz2
Fluorine binding site 2 out of 2 in the Human Mao B in Complex with Mofegiline


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Mao B in Complex with Mofegiline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1498

b:34.7
occ:1.00
F1 B:MFG1498 0.0 34.7 1.0
C2 B:MFG1498 1.3 33.4 1.0
C14 B:MFG1498 2.4 32.6 1.0
C3 B:MFG1498 2.4 32.6 1.0
CA B:ILE199 3.3 20.5 1.0
O B:ILE198 3.5 20.1 1.0
CD2 B:LEU171 3.6 18.8 1.0
C13 B:MFG1498 3.6 32.3 1.0
C4 B:MFG1498 3.6 33.0 1.0
NE2 B:GLN206 3.9 15.6 1.0
O B:ILE199 3.9 20.5 1.0
CB B:ILE199 3.9 20.6 1.0
CG2 B:ILE199 4.0 21.7 1.0
C B:ILE199 4.0 20.4 1.0
N B:ILE199 4.1 20.1 1.0
C B:ILE198 4.1 19.9 1.0
C5 B:MFG1498 4.1 32.8 1.0
CG B:LEU171 4.2 19.5 1.0
O B:HOH2101 4.5 11.6 1.0
CD B:GLN206 4.6 18.8 1.0
SG B:CYS172 4.8 22.4 1.0
OH B:TYR326 5.0 22.2 1.0

Reference:

E.M.Milczek, D.Bonivento, C.Binda, A.Mattevi, I.A.Mcdonald, D.E.Edmondson. Structural and Mechanistic Studies of Mofegiline Inhibition of Recombinant Human Monoamine Oxidase B. J. Med. Chem. V. 51 8019 2008.
ISSN: ISSN 1520-4804
PubMed: 19053775
DOI: 10.1021/JM8011867
Page generated: Sun Dec 13 11:40:49 2020

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