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Magnesium in PDB 4wyc: Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Benzamide Inhibitor

Enzymatic activity of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Benzamide Inhibitor

All present enzymatic activity of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Benzamide Inhibitor:
2.6.1.62;

Protein crystallography data

The structure of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Benzamide Inhibitor, PDB code: 4wyc was solved by B.C.Finzel, R.Dai, T.W.Geders, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.71 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.288, 65.982, 203.999, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 21.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Benzamide Inhibitor (pdb code 4wyc). 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 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Benzamide Inhibitor, PDB code: 4wyc:

Magnesium binding site 1 out of 1 in 4wyc

Go back to Magnesium Binding Sites List in 4wyc
Magnesium binding site 1 out of 1 in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Benzamide Inhibitor


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 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Benzamide Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg503

b:43.2
occ:1.00
 CE2 B:TRP45 3.5 18.0 1.0
CD2 B:TRP45 3.7 18.1 1.0
CZ2 B:TRP45 3.7 21.9 1.0
NE1 B:TRP45 3.9 21.2 1.0
OE1 B:GLU56 4.0 27.4 1.0
CE3 B:TRP45 4.0 16.8 1.0
CH2 B:TRP45 4.0 19.3 1.0
CZ3 B:TRP45 4.1 21.0 1.0
CG B:TRP45 4.2 18.9 1.0
CD1 B:TRP45 4.3 17.4 1.0
CD B:GLU56 4.7 26.7 1.0
O B:HOH971 4.8 32.4 1.0
CB B:GLU56 4.9 22.1 1.0

Reference:

R.Dai, T.W.Geders, F.Liu, S.W.Park, D.Schnappinger, C.C.Aldrich, B.C.Finzel. Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium Tuberculosis Bioa. J.Med.Chem. V. 58 5208 2015.
ISSN: ISSN 0022-2623
PubMed: 26068403
DOI: 10.1021/ACS.JMEDCHEM.5B00092
Page generated: Tue Aug 20 14:01:20 2024

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