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Calcium in PDB 5d3z: Crystal Structure of the Thioesterase Domain of Deoxyerythronolide B Synthase in Complex with A Small Phosphonate Inhibitor

Enzymatic activity of Crystal Structure of the Thioesterase Domain of Deoxyerythronolide B Synthase in Complex with A Small Phosphonate Inhibitor

All present enzymatic activity of Crystal Structure of the Thioesterase Domain of Deoxyerythronolide B Synthase in Complex with A Small Phosphonate Inhibitor:
2.3.1.94;

Protein crystallography data

The structure of Crystal Structure of the Thioesterase Domain of Deoxyerythronolide B Synthase in Complex with A Small Phosphonate Inhibitor, PDB code: 5d3z was solved by F.Bergeret, P.Argyropoulos, C.N.Boddy, T.M.Schmeing, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.15 / 2.10
Space group P 3 2 1
Cell size a, b, c (Å), α, β, γ (°) 112.544, 112.544, 42.780, 90.00, 90.00, 120.00
R / Rfree (%) 17 / 19

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of the Thioesterase Domain of Deoxyerythronolide B Synthase in Complex with A Small Phosphonate Inhibitor (pdb code 5d3z). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of the Thioesterase Domain of Deoxyerythronolide B Synthase in Complex with A Small Phosphonate Inhibitor, PDB code: 5d3z:

Calcium binding site 1 out of 1 in 5d3z

Go back to Calcium Binding Sites List in 5d3z
Calcium binding site 1 out of 1 in the Crystal Structure of the Thioesterase Domain of Deoxyerythronolide B Synthase in Complex with A Small Phosphonate Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of the Thioesterase Domain of Deoxyerythronolide B Synthase in Complex with A Small Phosphonate Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca303

b:30.0
occ:1.00
OD2 A:ASP49 2.2 24.3 1.0
O A:HOH416 2.4 18.7 1.0
O A:HOH564 2.5 27.6 1.0
CG A:ASP49 3.1 21.7 1.0
OD1 A:ASP49 3.4 20.5 1.0
OG A:SER51 4.1 27.9 1.0
CB A:ASP49 4.4 21.3 1.0
CB A:ASP52 4.5 27.0 1.0

Reference:

P.Argyropoulos, F.Bergeret, C.Pardin, J.M.Reimer, A.Pinto, C.N.Boddy, T.M.Schmeing. Towards A Characterization of the Structural Determinants of Specificity in the Macrocyclizing Thioesterase For Deoxyerythronolide B Biosynthesis. Biochim.Biophys.Acta V.1860 486 2015.
ISSN: ISSN 0006-3002
PubMed: 26592346
DOI: 10.1016/J.BBAGEN.2015.11.007
Page generated: Sun Jul 14 17:46:38 2024

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