Chlorine in PDB 7p2w: E.Coli GYRB24 with Inhibitor LMD92 (EBL2682)

All present enzymatic activity of E.Coli GYRB24 with Inhibitor LMD92 (EBL2682):
5.6.2.2;

The structure of E.Coli GYRB24 with Inhibitor LMD92 (EBL2682), PDB code: 7p2w was solved by C.E.M.Stevenson, D.M.Lawson, A.M.Maxwell, S.R.Henderson, D.Kikelj, M.Durcik, 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)	44.24 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.82, 52.62, 81.46, 90, 90, 90
R / Rfree (%)	18.8 / 22.1

The structure of E.Coli GYRB24 with Inhibitor LMD92 (EBL2682) also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the E.Coli GYRB24 with Inhibitor LMD92 (EBL2682) (pdb code 7p2w). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the E.Coli GYRB24 with Inhibitor LMD92 (EBL2682), PDB code: 7p2w:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the E.Coli GYRB24 with Inhibitor LMD92 (EBL2682)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E.Coli GYRB24 with Inhibitor LMD92 (EBL2682) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:20.1 occ:1.00 CL1 A:4QR301 0.0 20.1 1.0 C19 A:4QR301 1.7 17.3 1.0 C20 A:4QR301 2.7 17.5 1.0 C18 A:4QR301 2.8 18.7 1.0 N2 A:4QR301 3.3 19.2 1.0 CL2 A:4QR301 3.4 19.5 1.0 C17 A:4QR301 3.5 19.0 1.0 CG1 A:VAL118 3.7 21.9 1.0 O A:HOH451 3.7 17.1 1.0 CD1 A:ILE78 3.7 16.9 1.0 CB A:ASN46 3.8 20.7 1.0 C21 A:4QR301 3.9 17.3 1.0 N3 A:4QR301 3.9 18.0 1.0 CG1 A:ILE78 4.1 17.5 1.0 CG2 A:VAL118 4.2 23.9 1.0 CG A:ASN46 4.2 22.7 1.0 C7 A:4QR301 4.3 19.1 1.0 OD1 A:ASN46 4.5 26.9 1.0 CG1 A:VAL120 4.5 18.0 1.0 CB A:VAL118 4.5 23.4 1.0 N1 A:4QR301 4.7 19.8 1.0 O6 A:4QR301 4.7 20.7 1.0 CG2 A:ILE94 4.7 19.4 0.5 CB A:VAL120 4.9 18.4 1.0

Chlorine binding site 2 out of 2 in the E.Coli GYRB24 with Inhibitor LMD92 (EBL2682)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of E.Coli GYRB24 with Inhibitor LMD92 (EBL2682) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:19.5 occ:1.00 CL2 A:4QR301 0.0 19.5 1.0 C20 A:4QR301 1.7 17.5 1.0 C21 A:4QR301 2.7 17.3 1.0 C19 A:4QR301 2.8 17.3 1.0 C22 A:4QR301 3.3 17.4 1.0 CL1 A:4QR301 3.4 20.1 1.0 CG2 A:VAL120 3.5 19.2 1.0 CB A:VAL120 3.7 18.4 1.0 CB A:ASN46 3.8 20.7 1.0 N3 A:4QR301 3.8 18.0 1.0 CG1 A:VAL43 3.9 17.3 1.0 C18 A:4QR301 3.9 18.7 1.0 CG2 A:VAL167 4.0 16.3 1.0 O A:VAL43 4.2 17.4 1.0 CG1 A:VAL120 4.2 18.0 1.0 OD1 A:ASN46 4.3 26.9 1.0 CG A:ASN46 4.5 22.7 1.0 CA A:VAL43 4.5 17.9 1.0 CB A:VAL43 4.8 18.0 1.0 CB A:VAL167 4.8 15.7 1.0 C A:VAL43 4.8 18.2 1.0 CD1 A:ILE78 5.0 16.9 1.0 CA A:ASN46 5.0 20.2 1.0

C.E.M.Stevenson, D.M.Lawson, A.M.Maxwell, S.R.Henderson, D.Kikelj, M.Durcik, A.Zega, N.Zidar, J.Ilas, T.Tomasic, L.P.Masic. E.Coli GYRB24 with Inhibitor LMD92 (EBL2682) To Be Published.