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Magnesium in PDB 3f6b: Crystal Structure of Benzoylformate Decarboxylase in Complex with the Pyridyl Inhibitor Paa

Enzymatic activity of Crystal Structure of Benzoylformate Decarboxylase in Complex with the Pyridyl Inhibitor Paa

All present enzymatic activity of Crystal Structure of Benzoylformate Decarboxylase in Complex with the Pyridyl Inhibitor Paa:
4.1.1.7;

Protein crystallography data

The structure of Crystal Structure of Benzoylformate Decarboxylase in Complex with the Pyridyl Inhibitor Paa, PDB code: 3f6b was solved by G.S.Brandt, M.J.Mcleish, G.L.Kenyon, G.A.Petsko, D.Ringe, F.Jordan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.08 / 1.34
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 81.540, 96.070, 137.354, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 18.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Benzoylformate Decarboxylase in Complex with the Pyridyl Inhibitor Paa (pdb code 3f6b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Benzoylformate Decarboxylase in Complex with the Pyridyl Inhibitor Paa, PDB code: 3f6b:

Magnesium binding site 1 out of 1 in 3f6b

Go back to Magnesium Binding Sites List in 3f6b
Magnesium binding site 1 out of 1 in the Crystal Structure of Benzoylformate Decarboxylase in Complex with the Pyridyl Inhibitor Paa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Benzoylformate Decarboxylase in Complex with the Pyridyl Inhibitor Paa within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Mg601

b:8.2
occ:1.00
O2A X:8PA602 2.2 13.4 1.0
O1B X:8PA602 2.4 12.3 1.0
O X:HOH527 2.4 13.2 1.0
P1A X:8PA602 3.5 12.6 1.0
P1B X:8PA602 3.5 13.0 1.0
O3A X:8PA602 3.6 12.6 1.0
O7 X:8PA602 4.2 13.3 1.0
O3B X:8PA602 4.4 12.4 1.0
O X:HOH621 4.6 12.6 1.0
O1A X:8PA602 4.7 13.2 1.0
O2B X:8PA602 4.7 13.1 1.0

Reference:

S.Chakraborty, N.S.Nemeria, A.Balakrishnan, G.S.Brandt, M.M.Kneen, A.Yep, M.J.Mcleish, G.L.Kenyon, G.A.Petsko, D.Ringe, F.Jordan. Detection and Time Course of Formation of Major Thiamin Diphosphate-Bound Covalent Intermediates Derived From A Chromophoric Substrate Analogue on Benzoylformate Decarboxylase. Biochemistry V. 48 981 2009.
ISSN: ISSN 0006-2960
PubMed: 19140682
DOI: 10.1021/BI801810H
Page generated: Sun Aug 10 20:50:39 2025

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