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Potassium in PDB 3k14: Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate

Enzymatic activity of Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate

All present enzymatic activity of Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate:
4.6.1.12;

Protein crystallography data

The structure of Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate, PDB code: 3k14 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 26.95 / 1.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.117, 67.914, 60.363, 90.00, 96.39, 90.00
R / Rfree (%) 17.7 / 19.8

Other elements in 3k14:

The structure of Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate also contains other interesting chemical elements:

Chlorine (Cl) 1 atom
Zinc (Zn) 3 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate (pdb code 3k14). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate, PDB code: 3k14:

Potassium binding site 1 out of 1 in 3k14

Go back to Potassium Binding Sites List in 3k14
Potassium binding site 1 out of 1 in the Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Co-Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 535, Ethyl 3-Methyl-5,6-Dihydroimidazo[2,1-B][1,3]Thiazole-2-Carboxylate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K166

b:76.9
occ:1.00
O A:HOH235 2.6 31.8 1.0
O B:HOH207 2.7 24.4 1.0
O A:HOH294 2.7 24.0 1.0
O C:HOH275 2.7 35.1 1.0
O C:HOH239 3.0 25.6 1.0
OE2 B:GLU149 4.0 16.9 1.0
OE1 B:GLU149 4.0 16.1 1.0
OE1 C:GLU149 4.3 14.3 1.0
OE2 C:GLU149 4.3 14.9 1.0
OE2 A:GLU149 4.3 15.7 1.0
OE1 A:GLU149 4.4 14.9 1.0
CD B:GLU149 4.4 15.4 1.0
O A:HOH238 4.7 18.0 1.0
CD C:GLU149 4.7 14.7 1.0
O B:HOH195 4.7 15.7 1.0
CD A:GLU149 4.8 13.5 1.0
O C:HOH181 4.8 15.2 1.0
O A:HOH295 4.9 43.5 1.0
CE1 A:TYR9 5.0 12.4 1.0
CE2 C:TYR9 5.0 14.8 1.0
CE2 B:TYR9 5.0 15.8 1.0

Reference:

D.W.Begley, R.C.Hartley, D.R.Davies, T.E.Edwards, J.T.Leonard, J.Abendroth, C.A.Burris, J.Bhandari, P.J.Myler, B.L.Staker, L.J.Stewart. Leveraging Structure Determination with Fragment Screening For Infectious Disease Drug Targets: Mecp Synthase From Burkholderia Pseudomallei. J Struct Funct Genomics V. 12 63 2011.
PubMed: 21359640
DOI: 10.1007/S10969-011-9102-6
Page generated: Sun Dec 13 23:20:08 2020

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