Chlorine in PDB 5kss: Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller)

All present enzymatic activity of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller):
3.1.3.5;

The structure of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller), PDB code: 5kss was solved by A.T.P.Machado, E.M.B.Fonseca, M.A.Dos Reis, A.M.Saraiva, C.A.Dos Santos, A.M.S.De Toledo, I.Polikarpov, A.P.De Souza, R.Aparicio, J.Iulek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.94 / 2.82
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.941, 80.118, 71.511, 90.00, 95.51, 90.00
R / Rfree (%)	27.2 / 32.9

The structure of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller) also contains other interesting chemical elements:

Iodine	(I)	3 atoms
Manganese	(Mn)	2 atoms

The binding sites of Chlorine atom in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller) (pdb code 5kss). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller), PDB code: 5kss:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:60.4 occ:1.00 OD2 A:ASP8 3.0 71.0 1.0 OD1 A:ASN92 3.2 53.7 1.0 MN A:MN501 3.2 57.8 1.0 ND2 A:ASN92 3.4 60.6 1.0 CG A:ASN92 3.6 56.5 1.0 ND2 A:ASN96 3.6 52.7 1.0 OG A:SER104 3.7 54.8 1.0 OG1 A:THR106 3.9 43.7 1.0 CG A:ASP8 3.9 70.7 1.0 OG A:SER40 4.2 86.0 1.0 N A:GLY105 4.2 48.9 1.0 CB A:ASP8 4.3 69.2 1.0 OD1 A:ASN96 4.4 52.3 1.0 N A:THR106 4.4 57.3 1.0 CG A:ASN96 4.4 52.8 1.0 OG1 A:THR94 4.5 57.6 1.0 CB A:SER104 4.5 54.4 1.0 CA A:SER104 4.6 51.3 1.0 CB A:THR106 4.6 57.8 1.0 CB A:ASN92 4.8 56.6 1.0 C A:SER104 4.8 48.8 1.0 OD1 A:ASP8 5.0 74.3 1.0 CA A:GLY105 5.0 40.3 1.0

Chlorine binding site 2 out of 2 in the Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Stationary Phase Survival Protein E (Sure) From Xylella Fastidiosa - Xfsure-Ds (Dimer Smaller) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:77.9 occ:1.00 OD2 B:ASP8 3.0 68.7 1.0 OG B:SER104 3.1 66.2 1.0 ND2 B:ASN96 3.3 67.3 1.0 OD1 B:ASN92 3.4 70.0 1.0 OG1 B:THR106 3.7 69.8 1.0 MN B:MN501 3.7 66.5 1.0 ND2 B:ASN92 3.7 68.7 1.0 CG B:ASN92 3.7 69.8 1.0 N B:GLY105 3.8 48.6 1.0 CB B:SER104 4.0 65.0 1.0 N B:THR106 4.0 57.6 1.0 CG B:ASP8 4.0 68.7 1.0 OD1 B:ASN96 4.0 71.6 1.0 CG B:ASN96 4.1 68.6 1.0 CA B:SER104 4.1 62.0 1.0 CB B:THR106 4.3 66.0 1.0 C B:SER104 4.3 60.3 1.0 CB B:ASP8 4.4 64.7 1.0 CA B:GLY105 4.6 57.3 1.0 OG B:SER40 4.7 82.0 1.0 CA B:THR106 4.8 60.0 1.0 C B:GLY105 4.8 57.6 1.0 CB B:ASN92 4.9 70.9 1.0 OG1 B:THR94 4.9 57.8 1.0

A.T.P.Machado, E.M.B.Fonseca, M.A.D.Reis, A.M.Saraiva, C.A.D.Santos, M.A.S.De Toledo, I.Polikarpov, A.P.De Souza, R.Aparicio, J.Iulek. Conformational Variability of the Stationary Phase Survival Protein E From Xylella Fastidiosa Revealed By X-Ray Crystallography, Small-Angle X-Ray Scattering Studies, and Normal Mode Analysis. Proteins V. 85 1931 2017.
ISSN: ESSN 1097-0134
PubMed: 28677327
DOI: 10.1002/PROT.25347