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Chlorine in PDB 3ikf: Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol

Enzymatic activity of Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol

All present enzymatic activity of Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol:
4.6.1.12;

Protein crystallography data

The structure of Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol, PDB code: 3ikf 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) 19.49 / 2.07
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.010, 67.650, 60.090, 90.00, 96.27, 90.00
R / Rfree (%) 17.5 / 22.1

Other elements in 3ikf:

The structure of Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol also contains other interesting chemical elements:

Potassium (K) 1 atom
Zinc (Zn) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol (pdb code 3ikf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol, PDB code: 3ikf:

Chlorine binding site 1 out of 1 in 3ikf

Go back to Chlorine Binding Sites List in 3ikf
Chlorine binding site 1 out of 1 in the Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Fol Fragment 717, Imidazo[2,,1-B][1,3]Thiazol-6-Ylmethanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl164

b:28.4
occ:1.00
 O A:HOH288 2.9 38.2 1.0
N A:LYS138 3.1 21.0 1.0
N A:ASN136 3.3 17.9 1.0
CA A:LYS138 3.6 21.7 1.0
CA A:GLY143 3.6 18.6 1.0
CB A:THR135 3.6 18.4 1.0
CG A:GLN103 3.7 17.9 1.0
N A:GLU137 3.7 19.3 1.0
C A:ASN136 3.8 18.4 1.0
CA A:GLN103 3.9 17.1 1.0
CB A:GLN103 3.9 17.0 1.0
CA A:ASN136 3.9 17.7 1.0
OG1 A:THR135 4.1 18.6 1.0
C A:GLU137 4.2 20.8 1.0
CB A:ASN136 4.2 17.3 1.0
C A:THR135 4.2 18.4 1.0
CA A:THR135 4.3 18.0 1.0
O A:GLY143 4.3 19.8 1.0
CA A:GLU137 4.3 20.5 1.0
N A:GLY143 4.3 17.6 1.0
N A:GLN103 4.4 16.2 1.0
C A:GLY143 4.5 19.6 1.0
O A:LEU142 4.5 18.1 1.0
O A:ASN136 4.5 18.2 1.0
C A:LYS138 4.5 21.8 1.0
O A:HOH199 4.6 41.8 1.0
N A:LEU139 4.7 20.7 1.0
C A:LEU142 4.7 17.4 1.0
CG A:LYS138 4.7 23.1 1.0
CG2 A:THR135 4.7 18.8 1.0
CB A:LYS138 4.7 21.9 1.0
O A:HOH294 4.8 25.3 1.0
O A:HOH246 4.9 40.0 1.0
O A:HOH236 4.9 37.6 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: Sat Dec 12 09:48:16 2020

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