Atomistry » Copper » PDB 6pvz-6ri0 » 6pvz
Atomistry »
  Copper »
    PDB 6pvz-6ri0 »
      6pvz »

Copper in PDB 6pvz: E.Coli Dsba in Complex with Benzofuran Compound 28 ((6-Benzyl-1- Benzofuran-3-Yl)Acetic Acid)

Protein crystallography data

The structure of E.Coli Dsba in Complex with Benzofuran Compound 28 ((6-Benzyl-1- Benzofuran-3-Yl)Acetic Acid), PDB code: 6pvz was solved by G.Wang, B.Heras, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.73 / 1.99
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 117.590, 63.430, 74.231, 90.00, 125.02, 90.00
R / Rfree (%) 16.6 / 20

Copper Binding Sites:

The binding sites of Copper atom in the E.Coli Dsba in Complex with Benzofuran Compound 28 ((6-Benzyl-1- Benzofuran-3-Yl)Acetic Acid) (pdb code 6pvz). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the E.Coli Dsba in Complex with Benzofuran Compound 28 ((6-Benzyl-1- Benzofuran-3-Yl)Acetic Acid), PDB code: 6pvz:

Copper binding site 1 out of 1 in 6pvz

Go back to Copper Binding Sites List in 6pvz
Copper binding site 1 out of 1 in the E.Coli Dsba in Complex with Benzofuran Compound 28 ((6-Benzyl-1- Benzofuran-3-Yl)Acetic Acid)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of E.Coli Dsba in Complex with Benzofuran Compound 28 ((6-Benzyl-1- Benzofuran-3-Yl)Acetic Acid) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cu201

b:30.0
occ:1.00
OE2 B:GLU4 2.1 29.5 1.0
O B:ALA1 2.1 30.7 1.0
N B:ALA1 2.3 26.1 1.0
C B:ALA1 2.8 29.2 1.0
CA B:ALA1 3.0 31.5 1.0
CD B:GLU4 3.0 31.2 1.0
CG B:GLU4 3.3 23.6 1.0
CB B:ALA1 3.6 25.9 1.0
N B:GLN2 4.1 23.0 1.0
O B:HOH331 4.1 18.7 1.0
OE1 B:GLU4 4.2 34.7 1.0
O B:HOH445 4.5 47.2 1.0
CA B:GLN2 4.8 21.7 1.0
CB B:GLU4 4.8 24.8 1.0
C B:GLN2 4.9 21.0 1.0
O B:GLN2 5.0 20.9 1.0

Reference:

L.F.Duncan, G.Wang, O.V.Ilyichova, M.J.Scanlon, B.Heras, B.M.Abbott. The Fragment-Based Development of A Benzofuran Hit As A New Class Ofescherichia Colidsba Inhibitors. Molecules V. 24 2019.
ISSN: ESSN 1420-3049
PubMed: 31635355
DOI: 10.3390/MOLECULES24203756
Page generated: Wed Jul 31 06:46:59 2024

Last articles

Cl in 7UH8
Cl in 7UID
Cl in 7UHA
Cl in 7UH9
Cl in 7UGI
Cl in 7UG5
Cl in 7UGE
Cl in 7UGF
Cl in 7UG1
Cl in 7UFH
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy