Bromine in PDB 7p2x: E.Coli GYRB24 with Inhibitor KOB20 (EBL2583)

All present enzymatic activity of E.Coli GYRB24 with Inhibitor KOB20 (EBL2583):
5.6.2.2;

The structure of E.Coli GYRB24 with Inhibitor KOB20 (EBL2583), PDB code: 7p2x was solved by C.E.M.Stevenson, D.M.Lawson, A.M.Maxwell, S.R.Henderson, D.Kikelj, O.Benek, A.Zega, N.Zidar, J.Ilas, T.Tomasic, L.P.Masic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.86 / 1.60
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.17, 49.77, 53.04, 90, 102.11, 90
R / Rfree (%)	14.2 / 19.9

The binding sites of Bromine atom in the E.Coli GYRB24 with Inhibitor KOB20 (EBL2583) (pdb code 7p2x). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the E.Coli GYRB24 with Inhibitor KOB20 (EBL2583), PDB code: 7p2x:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the E.Coli GYRB24 with Inhibitor KOB20 (EBL2583)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of E.Coli GYRB24 with Inhibitor KOB20 (EBL2583) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:24.3 occ:1.00 BR1 A:4Q6301 0.0 24.3 1.0 C12 A:4Q6301 1.9 21.9 1.0 C11 A:4Q6301 2.9 23.0 1.0 C13 A:4Q6301 2.9 21.6 1.0 BR2 A:4Q6301 3.6 24.3 1.0 CB A:ASN46 3.6 26.0 1.0 CG2 A:VAL120 3.7 27.9 1.0 CB A:VAL120 3.9 27.2 1.0 CG A:ASN46 3.9 27.1 1.0 CG2 A:VAL167 4.0 19.1 1.0 N2 A:4Q6301 4.0 24.0 1.0 C10 A:4Q6301 4.0 22.5 1.0 CG1 A:VAL43 4.1 23.0 1.0 CG1 A:VAL120 4.1 27.2 1.0 OD1 A:ASN46 4.3 41.5 1.0 ND2 A:ASN46 4.4 34.4 1.0 O A:VAL43 4.6 21.5 1.0 CD1 A:ILE78 4.7 22.0 1.0 CA A:VAL43 4.9 19.4 1.0 CB A:VAL167 4.9 20.3 1.0 CB A:VAL43 5.0 20.9 1.0

Bromine binding site 2 out of 2 in the E.Coli GYRB24 with Inhibitor KOB20 (EBL2583)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of E.Coli GYRB24 with Inhibitor KOB20 (EBL2583) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:24.3 occ:1.00 BR2 A:4Q6301 0.0 24.3 1.0 C13 A:4Q6301 1.9 21.6 1.0 N2 A:4Q6301 2.8 24.0 1.0 C12 A:4Q6301 2.9 21.9 1.0 OD2 A:ASP73 3.6 25.0 1.0 BR1 A:4Q6301 3.6 24.3 1.0 O A:VAL71 3.9 23.3 1.0 CG2 A:THR165 3.9 21.6 1.0 C10 A:4Q6301 4.0 22.5 1.0 CB A:ALA47 4.0 23.7 1.0 O A:THR165 4.0 21.9 1.0 C11 A:4Q6301 4.0 23.0 1.0 CG1 A:VAL43 4.1 23.0 1.0 CB A:THR165 4.2 20.4 1.0 CG1 A:VAL71 4.4 25.6 1.0 CG2 A:VAL167 4.4 19.1 1.0 CA A:ALA47 4.4 23.4 1.0 C A:THR165 4.5 20.5 1.0 O A:VAL43 4.5 21.5 1.0 N A:ALA47 4.5 23.7 1.0 C A:VAL71 4.5 22.9 1.0 CG A:ASP73 4.6 24.1 1.0 CB A:VAL71 4.8 22.9 1.0 N A:VAL167 4.8 18.1 1.0 N A:ASP73 4.8 22.1 1.0 CB A:VAL167 4.8 20.3 1.0 CA A:THR165 5.0 20.6 1.0

C.E.M.Stevenson, D.M.Lawson, A.M.Maxwell, S.R.Henderson, D.Kikelj, O.Benek, A.Zega, N.Zidar, J.Ilas, T.Tomasic, L.P.Masic. E.Coli GYRB24 with Inhibitor KOB20 (EBL2583) To Be Published.