Chlorine in PDB 4ely: Ccdbvfi:GYRA14EC

All present enzymatic activity of Ccdbvfi:GYRA14EC:
5.99.1.3;

The structure of Ccdbvfi:GYRA14EC, PDB code: 4ely was solved by N.De Jonge, R.Simic, L.Buts, S.Haesaerts, K.Roelants, A.Garcia-Pino, Y.Sterckx, H.De Greve, J.Lah, R.Loris, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.62 / 1.93
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.073, 90.833, 58.130, 90.00, 102.59, 90.00
R / Rfree (%)	18.5 / 21.7

The binding sites of Chlorine atom in the Ccdbvfi:GYRA14EC (pdb code 4ely). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ccdbvfi:GYRA14EC, PDB code: 4ely:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ccdbvfi:GYRA14EC


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ccdbvfi:GYRA14EC within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:84.5 occ:1.00 NH1 A:ARG444 3.5 45.9 1.0 NH2 A:ARG444 3.5 63.1 1.0 CZ A:ARG444 4.0 53.6 1.0 CE1 A:TYR449 4.5 44.6 1.0 O A:HOH631 4.6 51.0 1.0 CD1 A:TYR449 5.0 41.6 1.0

Chlorine binding site 2 out of 2 in the Ccdbvfi:GYRA14EC


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ccdbvfi:GYRA14EC within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:85.8 occ:1.00 O D:HOH319 2.2 53.9 1.0 ND2 D:ASN85 4.0 62.5 1.0 OD1 D:ASN85 4.0 53.2 1.0 CG D:ASN85 4.4 55.9 1.0 N D:ASP61 5.0 56.0 1.0

N.De Jonge, M.Simic, L.Buts, S.Haesaerts, K.Roelants, A.Garcia-Pino, Y.Sterckx, H.De Greve, J.Lah, R.Loris. Alternative Interactions Define Gyrase Specificity in the Ccdb Family. Mol.Microbiol. V. 84 965 2012.
ISSN: ISSN 0950-382X
PubMed: 22582791
DOI: 10.1111/J.1365-2958.2012.08069.X