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Chlorine in PDB 3ike: Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Cytosine

Enzymatic activity of Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Cytosine

All present enzymatic activity of Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Cytosine:
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 Cytosine, PDB code: 3ike 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) 28.31 / 2.30
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.659, 68.064, 60.156, 90.00, 96.29, 90.00
R / Rfree (%) 18.5 / 23.4

Other elements in 3ike:

The structure of Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Cytosine also contains other interesting chemical elements:

Magnesium (Mg) 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 Cytosine (pdb code 3ike). 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 Cytosine, PDB code: 3ike:

Chlorine binding site 1 out of 1 in 3ike

Go back to Chlorine Binding Sites List in 3ike
Chlorine binding site 1 out of 1 in the Crystal Structure of 2C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase From Burkholderia Pseudomallei with Cytosine


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 Cytosine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl163

b:26.3
occ:1.00
 N A:LYS138 3.1 22.7 1.0
N A:ASN136 3.2 19.0 1.0
CA A:LYS138 3.5 23.2 1.0
CG A:GLN103 3.6 20.7 1.0
CA A:GLY143 3.6 19.1 1.0
CB A:THR135 3.7 19.0 1.0
CB A:GLN103 3.7 19.8 1.0
CA A:GLN103 3.8 19.3 1.0
N A:GLU137 3.8 20.6 1.0
CA A:ASN136 3.9 19.3 1.0
C A:ASN136 3.9 20.3 1.0
OG1 A:THR135 4.1 19.8 1.0
C A:THR135 4.1 20.0 1.0
C A:GLU137 4.2 22.4 1.0
CB A:ASN136 4.2 18.2 1.0
CA A:THR135 4.2 19.2 1.0
O A:GLY143 4.3 21.0 1.0
CA A:GLU137 4.4 22.1 1.0
N A:GLN103 4.4 18.0 1.0
N A:GLY143 4.4 19.4 1.0
O A:LEU142 4.4 20.9 1.0
C A:GLY143 4.5 20.3 1.0
C A:LYS138 4.5 23.2 1.0
O A:ASN136 4.6 20.2 1.0
CG A:LYS138 4.6 26.2 1.0
CB A:LYS138 4.6 23.9 1.0
C A:LEU142 4.7 19.2 1.0
N A:LEU139 4.8 23.0 1.0
O A:HOH257 4.8 27.2 1.0
CG2 A:THR135 4.8 16.7 1.0
O A:HOH231 4.9 37.7 1.0
CD A:GLN103 5.0 23.2 1.0
C A:ALA102 5.0 17.4 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 09:48:15 2020

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