Chlorine in PDB 4rh6: 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus.

The structure of 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus., PDB code: 4rh6 was solved by G.Minasov, S.Nocadello, L.Shuvalova, E.V.Filippova, A.Halavaty, I.Dubrovska, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.96 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.427, 90.623, 159.711, 90.00, 90.00, 90.00
R / Rfree (%)	22.6 / 28.3

The binding sites of Chlorine atom in the 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus. (pdb code 4rh6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus., PDB code: 4rh6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:51.0 occ:1.00 N C:LYS203 3.1 49.0 1.0 CB C:LYS203 3.4 49.0 1.0 CA C:GLN202 3.8 48.5 1.0 CB C:GLN202 3.9 48.0 1.0 CA C:LYS203 3.9 45.8 1.0 C C:GLN202 4.0 47.8 1.0 CD1 C:LEU42 4.1 67.2 1.0 CE C:LYS203 4.3 51.0 1.0 CG C:GLN202 4.3 50.1 1.0 CG C:LYS203 4.7 50.9 1.0 O C:LYS203 4.9 46.4 1.0 CD C:LYS203 4.9 51.0 1.0 C C:LYS203 4.9 45.3 1.0 O C:SER201 5.0 46.8 1.0

Chlorine binding site 2 out of 3 in the 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:60.3 occ:1.00 CE C:LYS172 3.1 71.9 1.0 NZ C:LYS172 3.5 74.9 1.0 CZ B:TYR151 3.6 48.6 1.0 OH B:TYR151 3.7 49.0 1.0 CE2 B:TYR151 3.7 47.6 1.0 OD1 C:ASN47 4.1 53.1 1.0 CE1 B:TYR151 4.2 47.9 1.0 CD2 B:TYR151 4.4 44.5 1.0 CD C:LYS172 4.4 67.1 1.0 CG C:ASN47 4.6 54.2 1.0 CG C:LYS172 4.8 57.3 1.0 CD1 B:TYR151 4.8 45.9 1.0 CG B:TYR151 4.9 44.4 1.0

Chlorine binding site 3 out of 3 in the 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:39.3 occ:1.00 O B:HOH312 3.0 39.6 1.0 NZ C:LYS54 3.4 43.3 1.0 CD1 B:LEU51 3.9 38.9 1.0 NE B:ARG53 3.9 56.7 1.0 CE C:LYS54 4.0 41.3 1.0 CD C:LYS54 4.2 42.0 1.0 O B:ILE50 4.3 33.3 1.0 NH2 B:ARG53 4.4 60.1 1.0 N B:GLU52 4.4 37.7 1.0 O B:GLU52 4.5 40.9 1.0 CA B:LEU51 4.7 34.0 1.0 CZ B:ARG53 4.7 56.3 1.0 OG C:SER153 4.8 36.9 1.0 CD B:ARG53 4.9 58.0 1.0

G.Minasov, S.Nocadello, L.Shuvalova, E.V.Filippova, A.Halavaty, I.Dubrovska, F.Bagnoli, F.Falugi, M.Bottomley, G.Grandi, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.9 Angstrom Crystal Structure of Putative Exotoxin 3 From Staphylococcus Aureus. To Be Published.