Atomistry » Chlorine » PDB 3jq0-3k1s » 3k14
Atomistry »
  Chlorine »
    PDB 3jq0-3k1s »
      3k14 »

Chlorine 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:

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

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total only one binding site of Chlorine 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:

Chlorine binding site 1 out of 1 in 3k14

Go back to Chlorine Binding Sites List in 3k14
Chlorine 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 Chlorine with other atoms in the Cl 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:Cl165

b:32.5
occ:1.00
 O A:HOH186 3.0 24.4 1.0
N A:LYS138 3.2 12.5 1.0
N A:ASN136 3.3 12.9 1.0
CG A:GLN103 3.7 12.4 1.0
CA A:GLY143 3.7 10.5 1.0
CB A:THR135 3.7 14.4 1.0
N A:GLU137 3.7 12.1 1.0
CA A:LYS138 3.7 12.5 1.0
CB A:GLN103 3.8 12.1 1.0
CA A:GLN103 3.8 12.0 1.0
C A:ASN136 3.9 12.0 1.0
CA A:ASN136 4.0 12.2 1.0
OG1 A:THR135 4.1 14.2 1.0
CB A:ASN136 4.2 12.0 1.0
C A:GLU137 4.2 12.3 1.0
C A:THR135 4.3 13.8 1.0
CA A:THR135 4.3 14.1 1.0
O A:GLY143 4.3 11.3 1.0
CA A:GLU137 4.4 13.0 1.0
N A:GLY143 4.4 10.5 1.0
O A:HOH304 4.4 35.5 1.0
O A:LEU142 4.5 12.2 1.0
N A:GLN103 4.5 11.5 1.0
C A:GLY143 4.5 11.2 1.0
O A:HOH220 4.5 26.9 1.0
O A:ASN136 4.6 11.5 1.0
C A:LYS138 4.6 12.5 1.0
CG2 A:THR135 4.6 15.8 1.0
O A:HOH264 4.7 17.4 1.0
C A:LEU142 4.7 10.6 1.0
CG A:LYS138 4.8 14.9 1.0
N A:LEU139 4.8 11.7 1.0
CB A:LYS138 4.8 13.1 1.0
C A:ALA102 5.0 12.0 1.0
O A:ALA102 5.0 12.2 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 Jul 20 22:19:19 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy