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Chlorine in PDB 4ckl: Structure of 55 kDa N-Terminal Domain of E. Coli Dna Gyrase A Subunit with Simocyclinone D8 Bound

Enzymatic activity of Structure of 55 kDa N-Terminal Domain of E. Coli Dna Gyrase A Subunit with Simocyclinone D8 Bound

All present enzymatic activity of Structure of 55 kDa N-Terminal Domain of E. Coli Dna Gyrase A Subunit with Simocyclinone D8 Bound:
5.99.1.3;

Protein crystallography data

The structure of Structure of 55 kDa N-Terminal Domain of E. Coli Dna Gyrase A Subunit with Simocyclinone D8 Bound, PDB code: 4ckl was solved by S.J.Hearnshaw, M.J.Edwards, C.E.M.Stevenson, D.M.Lawson, A.Maxwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.51 / 2.05
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 160.820, 96.050, 112.350, 90.00, 132.72, 90.00
R / Rfree (%) 19.59 / 22.481

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of 55 kDa N-Terminal Domain of E. Coli Dna Gyrase A Subunit with Simocyclinone D8 Bound (pdb code 4ckl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of 55 kDa N-Terminal Domain of E. Coli Dna Gyrase A Subunit with Simocyclinone D8 Bound, PDB code: 4ckl:

Chlorine binding site 1 out of 1 in 4ckl

Go back to Chlorine Binding Sites List in 4ckl
Chlorine binding site 1 out of 1 in the Structure of 55 kDa N-Terminal Domain of E. Coli Dna Gyrase A Subunit with Simocyclinone D8 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 55 kDa N-Terminal Domain of E. Coli Dna Gyrase A Subunit with Simocyclinone D8 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1522

b:51.9
occ:1.00
 CL4 A:SM81522 0.0 51.9 1.0
C4G A:SM81522 1.8 51.5 1.0
C4H A:SM81522 2.6 56.2 1.0
O4C A:SM81522 2.7 58.3 1.0
C4F A:SM81522 2.8 48.8 1.0
O4B A:SM81522 3.0 41.1 1.0
O A:HOH2078 3.4 35.3 1.0
NE2 A:HIS45 3.4 39.0 1.0
CD2 A:HIS45 3.8 37.5 1.0
CD1 A:LEU98 3.9 30.4 1.0
C4I A:SM81522 3.9 64.5 1.0
C4C A:SM81522 4.0 57.6 1.0
C4E A:SM81522 4.1 44.6 1.0
O A:HOH2006 4.3 65.5 1.0
CE1 A:HIS45 4.3 38.8 1.0
O A:HOH2008 4.4 60.6 1.0
CD2 A:LEU98 4.5 28.9 1.0
CG A:LEU98 4.5 29.4 1.0
O4D A:SM81522 4.5 89.6 1.0
C4D A:SM81522 4.6 56.1 1.0
CG A:MET92 4.6 26.8 1.0
CG A:HIS45 4.8 31.8 1.0
CD A:ARG91 4.8 45.6 1.0
C4A A:SM81522 4.9 61.4 1.0
C4B A:SM81522 4.9 64.9 1.0

Reference:

S.J.Hearnshaw, M.J.Edwards, C.E.Stevenson, D.M.Lawson, A.Maxwell. A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to Dna Gyrase Gives Fresh Insight Into the Mechanism of Inhibition. J.Mol.Biol. V. 426 2023 2014.
ISSN: ISSN 0022-2836
PubMed: 24594357
DOI: 10.1016/J.JMB.2014.02.017
Page generated: Sat Dec 12 10:29:48 2020

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