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Chlorine in PDB 5etn: E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution

Enzymatic activity of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution

All present enzymatic activity of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution:
2.7.6.3;

Protein crystallography data

The structure of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution, PDB code: 5etn was solved by M.L.Dennis, T.S.Peat, J.D.Swarbrick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.96 / 1.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 35.880, 57.890, 38.610, 90.00, 115.12, 90.00
R / Rfree (%) 18.2 / 21.9

Other elements in 5etn:

The structure of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution also contains other interesting chemical elements:

Calcium (Ca) 4 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution (pdb code 5etn). 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 E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution, PDB code: 5etn:

Chlorine binding site 1 out of 1 in 5etn

Go back to Chlorine Binding Sites List in 5etn
Chlorine binding site 1 out of 1 in the E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.40 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:53.2
occ:1.00
 CL1 A:5RX206 0.0 53.2 1.0
C7 A:5RX206 1.7 25.6 1.0
C3 A:5RX206 2.6 27.2 1.0
C4 A:5RX206 2.7 22.8 1.0
C1 A:5RX206 3.9 25.5 1.0
C2 A:5RX206 3.9 25.9 1.0
N A:GLY46 4.3 13.2 1.0
C5 A:5RX206 4.5 30.3 1.0
CB A:LEU45 4.6 16.8 1.0
CA A:GLY46 4.7 13.3 1.0
O A:HOH371 4.9 24.0 1.0
C A:LEU45 4.9 11.4 1.0

Reference:

M.L.Dennis, N.P.Pitcher, M.D.Lee, A.J.Debono, Z.C.Wang, J.R.Harjani, R.Rahmani, B.Cleary, T.S.Peat, J.B.Baell, J.D.Swarbrick. Structural Basis For the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase From Staphylococcus Aureus and Escherichia Coli. J.Med.Chem. V. 59 5248 2016.
ISSN: ISSN 0022-2623
PubMed: 27094768
DOI: 10.1021/ACS.JMEDCHEM.6B00002
Page generated: Fri Jul 26 07:31:15 2024

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