Chlorine in PDB 3dho: Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor

The structure of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor, PDB code: 3dho was solved by S.L.Roderick, A.Pesaresi, G.D.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.47 / 1.80
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	183.653, 183.620, 183.644, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.3

The structure of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor also contains other interesting chemical elements:

Bromine

(Br)

6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor (pdb code 3dho). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor, PDB code: 3dho:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:17.4 occ:0.60 CLAD A:B2M302 0.0 17.4 0.6 CAS A:B2M302 1.7 16.5 0.6 CAL A:B2M302 2.7 16.7 0.6 CAJ A:B2M302 2.7 18.0 0.6 C A:GLY157 3.3 8.4 1.0 O A:HOH570 3.3 19.6 1.0 O C:HOH747 3.5 33.1 1.0 O A:GLY157 3.6 8.5 1.0 CA A:GLY157 3.6 8.7 1.0 N A:GLY158 3.6 7.8 1.0 CG C:PRO160 3.7 10.9 1.0 CB C:PRO160 3.7 10.4 1.0 CD C:PRO160 3.9 10.1 1.0 CAW A:B2M302 4.0 17.8 0.6 CAU A:B2M302 4.0 16.0 0.6 CD1 A:ILE164 4.0 16.8 1.0 CA A:GLY158 4.1 7.6 1.0 N A:GLY157 4.3 8.3 1.0 CG1 A:ILE164 4.4 13.6 1.0 CAV A:B2M302 4.5 17.8 0.6 N C:PRO160 4.6 10.0 1.0 CA C:PRO160 4.7 10.0 1.0 CG2 C:VAL147 4.7 12.9 1.0 O C:HOH513 4.8 10.7 1.0 CG1 C:VAL147 4.9 12.0 1.0 CAG A:B2M302 5.0 18.7 0.6

Chlorine binding site 2 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:14.8 occ:0.60 CLAE A:B2M302 0.0 14.8 0.6 CAU A:B2M302 1.7 16.0 0.6 CAJ A:B2M302 2.7 18.0 0.6 CAV A:B2M302 2.8 17.8 0.6 OAC A:B2M302 3.0 17.3 0.6 O A:HOH594 3.1 22.5 1.0 CB A:ALA141 3.7 8.6 1.0 CG1 C:VAL147 3.7 12.0 1.0 CE C:MET129 3.8 17.2 1.0 CAS A:B2M302 4.0 16.5 0.6 NZ C:LYS111 4.0 25.9 1.0 CAW A:B2M302 4.1 17.8 0.6 CB C:VAL147 4.1 10.8 1.0 O C:HOH747 4.4 33.1 1.0 CG C:MET129 4.4 9.1 1.0 CAL A:B2M302 4.5 16.7 0.6 O C:HOH719 4.6 19.6 1.0 CB C:MET129 4.7 8.1 1.0 CAT A:B2M302 4.7 18.4 0.6 CAM A:B2M302 4.8 18.9 0.6 O A:HOH563 4.8 19.9 1.0 CA A:ALA141 4.8 8.0 1.0 CE C:LYS111 4.9 26.0 1.0 BRAF A:B2M302 4.9 18.5 0.6 SD C:MET129 5.0 14.8 1.0

Chlorine binding site 3 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl300 b:16.6 occ:0.60 CLAD B:B2M300 0.0 16.6 0.6 CAS B:B2M300 1.7 15.3 0.6 CAL B:B2M300 2.7 15.8 0.6 CAJ B:B2M300 2.7 17.6 0.6 C B:GLY157 3.3 8.1 1.0 O B:HOH551 3.4 20.8 1.0 O B:GLY157 3.6 7.9 1.0 N B:GLY158 3.6 7.6 1.0 CA B:GLY157 3.6 8.0 1.0 CG A:PRO160 3.9 10.8 1.0 CB A:PRO160 3.9 10.2 1.0 O B:HOH720 3.9 33.4 1.0 CAW B:B2M300 4.0 17.0 0.6 CAU B:B2M300 4.0 15.3 0.6 CD1 B:ILE164 4.0 15.5 1.0 CA B:GLY158 4.0 6.8 1.0 CD A:PRO160 4.1 11.2 1.0 N B:GLY157 4.4 8.2 1.0 CG1 B:ILE164 4.5 12.7 1.0 CAV B:B2M300 4.5 17.0 0.6 N A:PRO160 4.6 9.8 1.0 CA A:PRO160 4.7 10.0 1.0 O A:HOH532 4.7 10.8 1.0 CG2 A:VAL147 4.7 11.7 1.0 CG1 A:VAL147 4.8 10.7 1.0 CAG B:B2M300 5.0 17.7 0.6

Chlorine binding site 4 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl300 b:13.9 occ:0.60 CLAE B:B2M300 0.0 13.9 0.6 CAU B:B2M300 1.7 15.3 0.6 CAJ B:B2M300 2.7 17.6 0.6 CAV B:B2M300 2.8 17.0 0.6 O B:HOH586 3.0 23.2 1.0 OAC B:B2M300 3.0 15.8 0.6 CG1 A:VAL147 3.7 10.7 1.0 CE A:MET129 3.8 16.7 1.0 CB B:ALA141 3.8 8.4 1.0 CAS B:B2M300 4.0 15.3 0.6 CAW B:B2M300 4.1 17.0 0.6 CB A:VAL147 4.1 9.5 1.0 NZ A:LYS111 4.2 23.8 1.0 CG A:MET129 4.4 11.7 1.0 O A:HOH525 4.5 18.3 1.0 CAL B:B2M300 4.5 15.8 0.6 CB A:MET129 4.7 9.2 1.0 CA B:ALA141 4.9 8.3 1.0 CAT B:B2M300 4.9 17.7 0.6 CAM B:B2M300 5.0 17.8 0.6 SD A:MET129 5.0 14.8 1.0

Chlorine binding site 5 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:19.7 occ:0.60 CLAD C:B2M301 0.0 19.7 0.6 CAS C:B2M301 1.7 19.1 0.6 CAL C:B2M301 2.7 20.8 0.6 CAJ C:B2M301 2.7 19.9 0.6 C C:GLY157 3.3 7.7 1.0 O C:HOH592 3.3 19.8 1.0 O C:GLY157 3.5 8.5 1.0 CA C:GLY157 3.5 7.5 1.0 CB B:PRO160 3.6 11.5 1.0 N C:GLY158 3.6 6.8 1.0 CG B:PRO160 3.7 11.3 1.0 CD B:PRO160 3.9 11.0 1.0 CAW C:B2M301 4.0 20.9 0.6 CD1 C:ILE164 4.0 17.1 1.0 CAU C:B2M301 4.0 18.7 0.6 CA C:GLY158 4.1 7.9 1.0 N C:GLY157 4.3 7.7 1.0 CG1 C:ILE164 4.5 14.4 1.0 CAV C:B2M301 4.5 20.4 0.6 N B:PRO160 4.6 10.4 1.0 CA B:PRO160 4.6 10.7 1.0 CG2 B:VAL147 4.8 13.8 1.0 O B:HOH707 4.8 40.4 1.0 O B:HOH517 4.8 10.1 1.0 CAG C:B2M301 5.0 21.7 0.6

Chlorine binding site 6 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:16.9 occ:0.60 CLAE C:B2M301 0.0 16.9 0.6 CAU C:B2M301 1.8 18.7 0.6 CAJ C:B2M301 2.7 19.9 0.6 CAV C:B2M301 2.8 20.4 0.6 O C:HOH601 3.0 21.1 1.0 OAC C:B2M301 3.0 21.1 0.6 NZ B:LYS111 3.5 30.0 1.0 CG1 B:VAL147 3.6 13.3 1.0 CB C:ALA141 3.7 8.0 1.0 O B:HOH712 3.9 28.9 1.0 CE B:MET129 4.0 16.0 1.0 CAS C:B2M301 4.0 19.1 0.6 CB B:VAL147 4.1 12.2 1.0 CAW C:B2M301 4.1 20.9 0.6 CG B:MET129 4.3 13.1 1.0 CAL C:B2M301 4.5 20.8 0.6 CAT C:B2M301 4.7 22.2 0.6 CB B:MET129 4.7 10.9 1.0 O B:HOH533 4.7 19.4 1.0 CA C:ALA141 4.8 7.7 1.0 CAM C:B2M301 4.8 22.9 0.6 BRAF C:B2M301 4.9 21.1 0.6 CE B:LYS111 4.9 31.1 1.0 SD B:MET129 5.0 15.7 1.0 CG2 B:VAL147 5.0 13.8 1.0

Chlorine binding site 7 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl305 b:16.9 occ:0.30 CLAD D:B2M305 0.0 16.9 0.3 CAS D:B2M305 1.7 16.6 0.3 CAL D:B2M305 2.7 17.3 0.3 CAJ D:B2M305 2.7 17.7 0.3 O F:HOH689 3.0 31.1 1.0 C D:GLY157 3.3 12.5 1.0 CA D:GLY157 3.6 12.5 1.0 N D:GLY158 3.6 11.4 1.0 O D:HOH748 3.6 23.0 1.0 O D:GLY157 3.7 11.8 1.0 CD1 D:ILE164 3.8 22.7 1.0 CB F:PRO160 3.8 14.9 1.0 CG F:PRO160 3.9 14.4 1.0 CAW D:B2M305 4.0 18.1 0.3 CAU D:B2M305 4.0 17.2 0.3 CD F:PRO160 4.0 14.9 1.0 CA D:GLY158 4.1 11.4 1.0 N D:GLY157 4.4 13.5 1.0 CAV D:B2M305 4.5 17.9 0.3 CG1 D:ILE164 4.5 17.3 1.0 N F:PRO160 4.6 14.3 1.0 O F:HOH516 4.7 12.3 1.0 CA F:PRO160 4.7 14.2 1.0 CG1 F:VAL147 4.8 15.8 1.0 CG2 F:VAL147 4.9 18.8 1.0 CAG D:B2M305 4.9 18.2 0.3 CB D:ALA141 5.0 12.1 1.0

Chlorine binding site 8 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl305 b:15.1 occ:0.30 CLAE D:B2M305 0.0 15.1 0.3 CAU D:B2M305 1.7 17.2 0.3 CAJ D:B2M305 2.7 17.7 0.3 O F:HOH633 2.8 33.2 1.0 CAV D:B2M305 2.8 17.9 0.3 O D:HOH732 3.0 15.4 1.0 OAC D:B2M305 3.1 16.9 0.3 CG1 F:VAL147 3.7 15.8 1.0 CB D:ALA141 3.8 12.1 1.0 CE F:MET129 3.9 19.0 1.0 CAS D:B2M305 4.0 16.6 0.3 CAW D:B2M305 4.1 18.1 0.3 CG F:MET129 4.3 13.8 1.0 NZ F:LYS111 4.3 31.2 1.0 CB F:VAL147 4.3 17.2 1.0 O F:HOH689 4.4 31.1 1.0 CAL D:B2M305 4.5 17.3 0.3 CB F:MET129 4.6 12.9 1.0 CAT D:B2M305 4.7 19.9 0.3 CAM D:B2M305 4.8 19.8 0.3 O F:HOH545 4.8 23.9 1.0 CA D:ALA141 4.8 11.4 1.0 SD F:MET129 4.9 17.7 1.0 BRAF D:B2M305 4.9 19.6 0.3

Chlorine binding site 9 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl303 b:15.4 occ:0.30 CLAD E:B2M303 0.0 15.4 0.3 CAS E:B2M303 1.7 14.6 0.3 CAJ E:B2M303 2.7 15.9 0.3 CAL E:B2M303 2.7 15.0 0.3 C E:GLY157 3.3 11.9 1.0 N E:GLY158 3.5 11.0 1.0 CA E:GLY157 3.5 11.1 1.0 O E:HOH735 3.7 22.3 1.0 O E:GLY157 3.7 11.1 1.0 CB D:PRO160 3.8 14.2 1.0 CD1 E:ILE164 3.9 22.2 1.0 CAU E:B2M303 4.0 15.0 0.3 CG D:PRO160 4.0 14.0 1.0 CAW E:B2M303 4.0 16.8 0.3 CA E:GLY158 4.0 11.9 1.0 CD D:PRO160 4.0 13.6 1.0 N E:GLY157 4.4 11.5 1.0 CAV E:B2M303 4.5 16.0 0.3 O D:HOH721 4.6 14.1 1.0 CG1 E:ILE164 4.6 20.5 1.0 N D:PRO160 4.7 13.4 1.0 CA D:PRO160 4.7 13.0 1.0 CG1 D:VAL147 4.8 16.7 1.0 CG2 D:VAL147 4.9 18.1 1.0 CB E:ALA141 5.0 11.9 1.0

Chlorine binding site 10 out of 12 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl303 b:11.8 occ:0.30 CLAE E:B2M303 0.0 11.8 0.3 CAU E:B2M303 1.7 15.0 0.3 CAJ E:B2M303 2.6 15.9 0.3 CAV E:B2M303 2.8 16.0 0.3 O E:HOH779 2.8 22.4 1.0 O E:HOH824 2.9 29.6 1.0 OAC E:B2M303 3.0 16.2 0.3 CB E:ALA141 3.6 11.9 1.0 CE D:MET129 3.8 19.0 1.0 CG1 D:VAL147 3.8 16.7 1.0 O D:HOH778 3.9 27.6 1.0 CAS E:B2M303 3.9 14.6 0.3 CAW E:B2M303 4.1 16.8 0.3 CG D:MET129 4.4 14.0 1.0 CB D:VAL147 4.4 15.0 1.0 CAL E:B2M303 4.5 15.0 0.3 CA E:ALA141 4.7 11.6 1.0 CB D:MET129 4.7 12.1 1.0 O E:HOH741 4.8 23.9 1.0 SD D:MET129 4.8 18.2 1.0 CAT E:B2M303 4.9 18.5 0.3 O D:HOH761 4.9 23.2 1.0 CAM E:B2M303 4.9 18.8 0.3

N.J.Johnston, J.E.Blanchard, K.P.Koteva, L.J.Ejim, A.Pesaresi, S.L.Roderick, G.D.Wright. Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor To Be Published.