Chlorine in PDB 4vub: Ccdb, A Topoisomerase Poison From Escherichia Coli

The structure of Ccdb, A Topoisomerase Poison From Escherichia Coli, PDB code: 4vub 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)	15.00 / 1.45
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.910, 36.580, 35.810, 90.00, 115.16, 90.00
R / Rfree (%)	18.1 / 21.8

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

Chlorine binding site 1 out of 3 in the Ccdb, A Topoisomerase Poison From Escherichia 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 Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:7.7 occ:1.00 NH1 A:ARG86 3.2 5.4 1.0 N A:HIS55 3.2 5.1 1.0 O A:HOH218 3.5 8.4 1.0 NE2 A:HIS85 3.5 3.1 1.0 CG A:ARG86 3.7 4.4 1.0 CA A:VAL54 3.8 4.5 1.0 ND1 A:HIS55 3.8 7.8 1.0 CD A:ARG86 3.9 4.9 1.0 C A:VAL54 4.0 5.2 1.0 CB A:VAL54 4.0 4.9 1.0 CB A:HIS55 4.1 5.6 1.0 CA A:HIS55 4.2 4.7 1.0 O A:HIS55 4.2 4.6 1.0 CD2 A:HIS85 4.3 2.4 1.0 CZ A:ARG86 4.3 5.7 1.0 CG A:HIS55 4.4 5.1 1.0 CD2 A:LEU83 4.4 5.1 1.0 CG1 A:VAL54 4.5 3.2 1.0 CE1 A:HIS85 4.5 3.7 1.0 NE A:ARG86 4.6 4.9 1.0 C A:HIS55 4.7 4.2 1.0 O A:VAL53 4.8 5.8 1.0 CE1 A:HIS55 4.9 2.9 1.0

Chlorine binding site 2 out of 3 in the Ccdb, A Topoisomerase Poison From Escherichia 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 Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:14.6 occ:1.00 O A:HOH210 3.1 6.6 1.0 O A:HOH275 3.1 24.0 1.0 OG A:SER38 3.2 9.8 0.1 N A:SER38 3.3 6.7 1.0 NH2 A:ARG15 3.3 6.5 1.0 O A:HOH237 3.4 12.8 1.0 CB A:SER38 3.7 9.3 0.1 CB A:SER38 3.7 9.5 0.9 O A:HOH277 3.9 24.6 1.0 NE A:ARG15 4.0 5.1 1.0 CD1 A:TYR14 4.0 8.6 1.0 CA A:ALA37 4.1 4.9 1.0 CA A:SER38 4.1 9.1 1.0 CZ A:ARG15 4.1 4.8 1.0 C A:ALA37 4.1 5.5 1.0 CB A:ALA37 4.5 7.4 1.0 CE1 A:TYR14 4.6 11.6 1.0 CZ3 A:TRP61 4.7 5.0 1.0 O A:LEU36 5.0 4.6 1.0 O A:SER38 5.0 10.2 1.0

Chlorine binding site 3 out of 3 in the Ccdb, A Topoisomerase Poison From Escherichia 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 Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:10.8 occ:0.50 O A:HOH220 2.8 8.7 1.0 O A:HOH230 2.8 11.1 1.0 CG1 A:VAL73 3.5 8.3 0.4 CG1 A:VAL73 3.7 9.3 0.6 CG2 A:VAL73 3.7 8.5 0.4 O A:HOH221 3.8 9.1 1.0 CB A:VAL73 4.2 8.7 0.4 CB A:VAL73 4.2 9.6 0.6 O A:HOH225 4.5 10.0 1.0 O A:HOH213 4.6 7.2 1.0 CG2 A:VAL73 4.8 8.9 0.6 O A:HOH260 4.9 19.5 1.0 O A:HOH236 5.0 12.6 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