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Bromine in PDB 5etp: E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.05 Angstrom Resolution

Enzymatic activity of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.05 Angstrom Resolution

All present enzymatic activity of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.05 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 1.05 Angstrom Resolution, PDB code: 5etp 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) 34.70 / 1.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 35.950, 57.770, 38.640, 90.00, 116.11, 90.00
R / Rfree (%) 10.7 / 12.5

Other elements in 5etp:

The structure of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.05 Angstrom Resolution also contains other interesting chemical elements:

Calcium (Ca) 4 atoms
Chlorine (Cl) 1 atom
Sodium (Na) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.05 Angstrom Resolution (pdb code 5etp). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.05 Angstrom Resolution, PDB code: 5etp:

Bromine binding site 1 out of 1 in 5etp

Go back to Bromine Binding Sites List in 5etp
Bromine binding site 1 out of 1 in the E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.05 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of E. Coli 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase Complexed with Ampcpp and Inhibitor at 1.05 Angstrom Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br209

b:11.2
occ:1.00
BR1 A:5RZ209 0.0 11.2 1.0
C7 A:5RZ209 1.9 8.3 1.0
C4 A:5RZ209 2.8 8.0 1.0
C3 A:5RZ209 2.9 9.3 1.0
O A:HOH395 3.8 8.6 1.0
C2 A:5RZ209 4.1 8.1 1.0
C1 A:5RZ209 4.2 9.9 1.0
C5 A:5RZ209 4.7 9.9 1.0
OD2 A:ASP117 5.0 5.0 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: Sat Dec 12 02:25:41 2020

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