Chlorine in PDB 4fc9: Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl)

The structure of Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl), PDB code: 4fc9 was solved by A.U.Singer, X.Xu, H.Cui, K.Tan, A.Joachimiak, A.Savchenko, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.63 / 1.80
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	119.198, 119.198, 38.679, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 19.6

The binding sites of Chlorine atom in the Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl) (pdb code 4fc9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl), PDB code: 4fc9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl701 b:30.2 occ:1.00 CD B:ARG558 3.4 32.8 1.0 NH1 B:ARG558 3.5 23.3 1.0 N B:ILE559 3.6 21.5 1.0 CA B:ARG558 3.6 20.4 1.0 O B:PRO557 3.9 27.8 1.0 C B:ARG558 4.1 23.6 1.0 CB B:ARG558 4.2 21.6 1.0 CE1 B:HIS570 4.2 19.4 1.0 CG2 B:ILE559 4.3 25.8 1.0 NE B:ARG558 4.3 35.2 1.0 NE2 B:HIS570 4.4 20.1 1.0 CZ B:ARG558 4.4 34.1 1.0 CG B:ARG558 4.4 25.7 1.0 N B:ARG558 4.6 24.2 1.0 CB B:ILE559 4.6 23.5 1.0 C B:PRO557 4.7 25.2 1.0 CA B:ILE559 4.7 24.3 1.0

Chlorine binding site 2 out of 3 in the Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:33.5 occ:1.00 CD A:ARG558 3.4 23.8 1.0 NH1 A:ARG558 3.5 25.2 1.0 N A:ILE559 3.7 22.7 1.0 CA A:ARG558 3.7 20.3 1.0 O A:PRO557 3.7 25.9 1.0 C A:ARG558 4.3 20.7 1.0 NE A:ARG558 4.3 28.1 1.0 CZ A:ARG558 4.3 29.7 1.0 CE1 A:HIS570 4.3 25.8 1.0 CB A:ARG558 4.3 19.4 1.0 CG2 A:ILE559 4.4 23.9 1.0 CG A:ARG558 4.5 21.8 1.0 C A:PRO557 4.6 23.5 1.0 N A:ARG558 4.7 21.8 1.0 NE2 A:HIS570 4.7 29.4 1.0 CB A:ILE559 4.7 23.2 1.0 CA A:ILE559 4.8 22.0 1.0

Chlorine binding site 3 out of 3 in the Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl701 b:47.0 occ:1.00 NH1 C:ARG558 3.2 42.4 1.0 CD C:ARG558 3.3 39.1 1.0 CA C:ARG558 4.0 36.7 1.0 CZ C:ARG558 4.1 48.0 1.0 O C:PRO557 4.1 35.2 1.0 NE C:ARG558 4.1 46.1 1.0 N C:ILE559 4.2 35.8 1.0 CB C:ARG558 4.5 32.5 1.0 CG C:ARG558 4.5 35.1 1.0 NE2 C:HIS570 4.6 34.0 1.0 CE1 C:HIS570 4.6 33.9 1.0 C C:ARG558 4.7 39.6 1.0 CG2 C:ILE559 5.0 29.7 1.0 C C:PRO557 5.0 34.4 1.0 N C:ARG558 5.0 38.2 1.0

A.U.Singer, S.Schulze, X.Xu, T.Skarina, H.Cui, M.Egler, T.Srikumar, B.Raught, A.Savchenko, U.Bonas. Structure of the C-Terminal Domain of the Type III Effector XCV3220 (Xopl) To Be Published.