Chlorine in PDB 1vub: Ccdb, A Topoisomerase Poison From E. Coli

The structure of Ccdb, A Topoisomerase Poison From E. Coli, PDB code: 1vub was solved by R.Loris, M.-H.Dao-Thi, E.M.Bahasi, L.Van Melderen, F.Poortmans, R.Liddington, M.Couturier, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.60
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	104.520, 104.520, 88.420, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 24.6

The binding sites of Chlorine atom in the Ccdb, A Topoisomerase Poison From E. Coli (pdb code 1vub). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Ccdb, A Topoisomerase Poison From E. Coli, PDB code: 1vub:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl102 b:7.6 occ:1.00 NH1 A:ARG86 3.2 19.3 1.0 N A:HIS55 3.4 20.4 1.0 NE2 A:HIS85 3.6 5.8 1.0 ND1 A:HIS55 3.7 26.9 1.0 CG A:ARG86 3.7 13.6 1.0 CD A:ARG86 3.8 14.6 1.0 CA A:VAL54 4.0 16.3 1.0 CB A:HIS55 4.1 21.6 1.0 C A:VAL54 4.2 16.8 1.0 CA A:HIS55 4.3 19.1 1.0 O A:HIS55 4.3 19.1 1.0 CZ A:ARG86 4.3 12.8 1.0 CG A:HIS55 4.3 27.2 1.0 CB A:VAL54 4.4 15.4 1.0 CD2 A:HIS85 4.5 7.2 1.0 NE A:ARG86 4.5 14.8 1.0 CE1 A:HIS85 4.6 8.6 1.0 C A:HIS55 4.8 18.0 1.0 O A:VAL53 4.8 12.4 1.0 CE1 A:HIS55 4.8 28.9 1.0 CD2 A:LEU83 4.8 8.9 1.0 CG1 A:VAL54 4.8 13.1 1.0

Chlorine binding site 2 out of 4 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:14.9 occ:1.00 N B:HIS55 3.1 24.6 1.0 NH1 B:ARG86 3.3 18.7 1.0 ND1 B:HIS55 3.4 29.4 1.0 CA B:VAL54 3.8 17.7 1.0 CB B:HIS55 3.8 21.3 1.0 C B:VAL54 3.9 20.3 1.0 CA B:HIS55 3.9 19.2 1.0 NE2 B:HIS85 4.0 9.9 1.0 CG B:ARG86 4.0 10.1 1.0 CG B:HIS55 4.0 26.9 1.0 O B:HIS55 4.1 22.8 1.0 CD B:ARG86 4.1 15.9 1.0 CB B:VAL54 4.2 16.5 1.0 CZ B:ARG86 4.4 17.7 1.0 C B:HIS55 4.5 18.3 1.0 CE1 B:HIS55 4.6 27.2 1.0 O B:VAL53 4.6 20.2 1.0 NE B:ARG86 4.7 13.4 1.0 CG1 B:VAL54 4.8 10.0 1.0 CD2 B:LEU83 4.8 12.8 1.0 CE1 B:HIS85 4.8 12.2 1.0 CD2 B:HIS85 4.8 6.5 1.0 N B:VAL54 5.0 16.2 1.0

Chlorine binding site 3 out of 4 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:17.8 occ:1.00 N C:HIS55 3.0 25.4 1.0 NH1 C:ARG86 3.3 18.1 1.0 CA C:VAL54 3.6 16.6 1.0 ND1 C:HIS55 3.6 29.9 1.0 C C:VAL54 3.7 21.7 1.0 CB C:HIS55 3.9 22.5 1.0 CG C:ARG86 3.9 9.7 1.0 CA C:HIS55 3.9 21.1 1.0 NE2 C:HIS85 3.9 8.7 1.0 O C:HIS55 4.0 28.4 1.0 CB C:VAL54 4.0 15.8 1.0 CD C:ARG86 4.1 13.7 1.0 CG C:HIS55 4.2 25.7 1.0 CZ C:ARG86 4.4 17.1 1.0 C C:HIS55 4.4 23.1 1.0 CG1 C:VAL54 4.5 12.6 1.0 CD2 C:LEU83 4.5 15.3 1.0 O C:VAL53 4.6 20.5 1.0 NE C:ARG86 4.7 12.9 1.0 CE1 C:HIS55 4.8 27.6 1.0 CE1 C:HIS85 4.8 14.6 1.0 CD2 C:HIS85 4.8 11.2 1.0 N C:VAL54 4.8 17.8 1.0 O C:VAL54 4.9 21.2 1.0

Chlorine binding site 4 out of 4 in the Ccdb, A Topoisomerase Poison From E. Coli


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Ccdb, A Topoisomerase Poison From E. Coli within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl402 b:7.3 occ:1.00 NH1 D:ARG86 3.1 19.9 1.0 N D:HIS55 3.2 21.4 1.0 ND1 D:HIS55 3.4 25.8 1.0 CA D:VAL54 3.8 15.3 1.0 CB D:HIS55 3.9 20.6 1.0 CG D:ARG86 3.9 12.8 1.0 C D:VAL54 3.9 18.8 1.0 CD D:ARG86 4.0 15.8 1.0 NE2 D:HIS85 4.0 9.6 1.0 CA D:HIS55 4.1 18.7 1.0 CG D:HIS55 4.1 26.1 1.0 CZ D:ARG86 4.2 19.1 1.0 O D:HIS55 4.2 20.9 1.0 CB D:VAL54 4.3 15.0 1.0 O D:VAL53 4.5 15.5 1.0 CE1 D:HIS55 4.5 26.7 1.0 NE D:ARG86 4.5 19.2 1.0 C D:HIS55 4.7 19.6 1.0 CG1 D:VAL54 4.7 13.2 1.0 CD2 D:HIS85 4.8 9.5 1.0 CE1 D:HIS85 4.9 10.6 1.0 CD2 D:LEU83 4.9 12.7 1.0 N D:VAL54 5.0 15.5 1.0

R.Loris, M.H.Dao-Thi, E.M.Bahassi, L.Van Melderen, F.Poortmans, R.Liddington, M.Couturier, L.Wyns. Crystal Structure of Ccdb, A Topoisomerase Poison From E. Coli. J.Mol.Biol. V. 285 1667 1999.
ISSN: ISSN 0022-2836
PubMed: 9917404
DOI: 10.1006/JMBI.1998.2395