Chlorine in PDB 5kis: Yenb/RHS2 Complex

The structure of Yenb/RHS2 Complex, PDB code: 5kis was solved by J.N.Busby, M.R.H.Hurst, J.S.Lott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.51 / 2.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	148.607, 132.765, 155.361, 90.00, 103.85, 90.00
R / Rfree (%)	21.6 / 26

The structure of Yenb/RHS2 Complex also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Yenb/RHS2 Complex (pdb code 5kis). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Yenb/RHS2 Complex, PDB code: 5kis:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Yenb/RHS2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Yenb/RHS2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1504 b:39.6 occ:1.00 ND2 A:ASN326 3.3 35.3 1.0 N A:TYR1189 3.4 29.6 1.0 CB A:TYR1189 3.8 30.3 1.0 O A:TYR1187 4.1 30.0 1.0 CA A:TYR1189 4.1 30.0 1.0 CG A:ASN326 4.3 35.4 1.0 CD2 A:TYR1189 4.3 30.7 1.0 OD1 A:ASN326 4.4 35.5 1.0 C A:ASP1188 4.4 29.6 1.0 CA A:ASP1188 4.4 29.5 1.0 CD2 A:LEU322 4.5 34.4 1.0 OD1 A:ASP1188 4.5 30.3 1.0 CG A:TYR1189 4.5 30.4 1.0 CD1 A:LEU322 4.7 33.6 1.0 N A:ARG1190 4.7 29.9 1.0 C A:TYR1189 4.8 29.9 1.0 CB A:LEU322 4.9 31.5 1.0 CG A:LEU322 4.9 33.5 1.0

Chlorine binding site 2 out of 4 in the Yenb/RHS2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Yenb/RHS2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1505 b:58.8 occ:1.00 OD1 A:ASP1030 3.0 73.6 1.0 CG A:ASP1030 3.8 67.3 1.0 CD A:ARG1033 3.8 53.8 1.0 N A:ASP1030 4.0 59.5 1.0 CB A:ASP1030 4.3 63.9 1.0 NH1 A:ARG1033 4.4 57.2 1.0 CD1 A:TYR1029 4.5 44.6 1.0 CG A:ARG1033 4.6 53.0 1.0 OD2 A:ASP1030 4.6 68.4 1.0 CA A:TYR1029 4.6 49.8 1.0 CA A:ASP1030 4.8 60.5 1.0 CB A:TYR1029 4.8 47.6 1.0 C A:TYR1029 4.8 53.6 1.0 NE A:ARG1033 5.0 53.8 1.0

Chlorine binding site 3 out of 4 in the Yenb/RHS2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Yenb/RHS2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1001 b:70.4 occ:1.00 NH1 B:ARG318 3.1 62.6 1.0 N B:LEU603 3.9 38.3 1.0 NH2 B:ARG318 3.9 62.1 1.0 CZ B:ARG318 4.0 60.1 1.0 CD1 B:LEU603 4.1 48.6 1.0 CD B:LYS327 4.2 46.5 1.0 CD2 B:LEU329 4.2 49.6 1.0 CB B:LEU603 4.3 41.2 1.0 CA B:LYS602 4.3 40.2 1.0 CG B:LEU603 4.4 46.1 1.0 CG B:LYS602 4.6 43.0 1.0 C B:LYS602 4.6 37.5 1.0 CB B:LYS602 4.7 41.7 1.0 CA B:LEU603 4.7 39.7 1.0 O B:GLY601 5.0 37.6 1.0

Chlorine binding site 4 out of 4 in the Yenb/RHS2 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Yenb/RHS2 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1002 b:46.2 occ:1.00 OH B:TYR413 2.9 32.2 1.0 O B:HOH1118 3.1 28.6 1.0 NH1 B:ARG411 3.3 50.2 1.0 N B:TYR612 3.3 39.2 1.0 CB B:TYR612 3.6 35.8 1.0 CE1 B:TYR413 3.6 33.2 1.0 CB B:TYR610 3.7 41.3 1.0 CZ B:TYR413 3.7 32.9 1.0 CD2 B:TYR612 3.8 36.1 1.0 CD B:ARG411 3.9 48.2 1.0 CA B:TYR612 4.0 36.8 1.0 N B:PRO611 4.0 40.4 1.0 CD B:PRO611 4.2 41.6 1.0 CB B:PRO611 4.2 41.4 1.0 CG B:TYR612 4.2 36.3 1.0 CZ B:ARG411 4.2 49.4 1.0 C B:TYR610 4.2 40.0 1.0 C B:PRO611 4.3 40.2 1.0 CA B:PRO611 4.4 40.1 1.0 NE B:ARG411 4.5 48.6 1.0 CG B:PRO611 4.5 41.9 1.0 CD1 B:ILE424 4.6 48.8 1.0 CA B:TYR610 4.6 41.0 1.0 CG2 B:ILE424 4.7 46.4 1.0 O B:TYR610 4.7 38.3 1.0 CG B:TYR610 4.7 41.0 1.0 C B:TYR612 4.8 36.3 1.0 CE2 B:TYR612 4.9 35.1 1.0 CD1 B:TYR413 4.9 34.3 1.0

J.N.Busby, M.R.H.Hurst, J.S.Lott. Structure of A New Bc Complex From Yersinia Entomophaga To Be Published.