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Bromine in PDB 5fhr: Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol

Enzymatic activity of Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol

All present enzymatic activity of Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol:
2.1.1.6;

Protein crystallography data

The structure of Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol, PDB code: 5fhr was solved by C.Levy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.71 / 1.63
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.700, 79.370, 109.660, 90.00, 90.00, 90.00
R / Rfree (%) 15.9 / 17.8

Other elements in 5fhr:

The structure of Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol (pdb code 5fhr). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol, PDB code: 5fhr:

Bromine binding site 1 out of 1 in 5fhr

Go back to Bromine Binding Sites List in 5fhr
Bromine binding site 1 out of 1 in the Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Y200L Mutant of Rat Catechol-O-Methyltransferase in Complex with Adomet and 3,5-Dinitrocatechol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br304

b:8.8
occ:1.00
 O A:HOH498 3.5 9.3 1.0
O A:HOH544 3.6 16.4 1.0
CE A:MET134 4.0 11.8 1.0
CB A:ASN135 4.1 7.3 1.0
CG A:MET134 4.2 7.8 1.0
ND2 A:ASN135 4.3 10.6 1.0
CA A:ASN135 4.3 8.2 1.0
CG A:ASN135 4.5 11.4 1.0
N A:ASN135 4.6 8.1 1.0
O A:MET134 4.6 9.1 1.0
C A:MET134 4.8 9.3 1.0
SD A:MET134 4.8 11.7 1.0
O2' A:SAM303 4.9 10.5 1.0

Reference:

B.J.Law, M.R.Bennett, M.L.Thompson, C.Levy, S.A.Shepherd, D.Leys, J.Micklefield. Effects of Active-Site Modification and Quaternary Structure on the Regioselectivity of Catechol-O-Methyltransferase. Angew.Chem.Int.Ed.Engl. V. 55 2683 2016.
ISSN: ESSN 1521-3773
PubMed: 26797714
DOI: 10.1002/ANIE.201508287
Page generated: Wed Jul 10 23:40:54 2024

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