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Chlorine in PDB 4ely: Ccdbvfi:GYRA14EC

Enzymatic activity of Ccdbvfi:GYRA14EC

All present enzymatic activity of Ccdbvfi:GYRA14EC:
5.99.1.3;

Protein crystallography data

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

Chlorine Binding Sites:

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 4ely

Go back to Chlorine Binding Sites List in 4ely
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 4ely

Go back to Chlorine Binding Sites List in 4ely
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

Reference:

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
Page generated: Sat Dec 12 10:34:57 2020

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