Chlorine in PDB 6jiz: Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution

The structure of Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution, PDB code: 6jiz was solved by H.Li, L.Wu, G.W.Zheng, J.H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 1.76
Space group	P 31 1 2
Cell size a, b, c (Å), α, β, γ (°)	106.659, 106.659, 168.557, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 19.2

The structure of Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution (pdb code 6jiz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution, PDB code: 6jiz:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:52.7 occ:0.88 NE1 A:TRP287 3.1 23.5 1.0 O A:HOH516 3.5 35.9 1.0 CD2 A:LEU225 3.7 36.9 1.0 CB A:ALA241 3.7 27.7 1.0 CD1 A:TRP287 3.8 20.0 1.0 CB A:LEU225 3.9 35.1 1.0 CD1 A:LEU225 4.1 39.8 1.0 CG A:LEU225 4.1 41.3 1.0 CE2 A:TRP287 4.2 20.4 1.0 SD A:MET216 4.6 45.7 1.0 CZ2 A:TRP287 4.7 22.0 1.0 CE A:MET216 4.8 30.6 1.0

Chlorine binding site 2 out of 5 in the Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:27.7 occ:1.00 O B:HOH633 3.1 33.2 1.0 O C:HOH560 3.2 24.4 1.0 NH1 B:ARG103 3.2 18.7 1.0 NH2 B:ARG103 3.3 15.9 1.0 O C:HOH455 3.5 28.9 1.0 CZ B:ARG103 3.7 22.9 1.0 CD2 B:LEU169 3.8 15.7 1.0 CD1 B:LEU169 4.0 14.8 1.0 CB B:PRO99 4.1 14.1 1.0 O B:HOH569 4.2 33.4 1.0 CB C:ALA195 4.3 16.7 1.0 CG B:LEU169 4.3 16.5 1.0 CG B:PRO99 4.6 14.5 1.0 CB C:SER260 4.6 25.2 1.0 CB B:LEU169 4.7 10.8 1.0

Chlorine binding site 3 out of 5 in the Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl305 b:62.5 occ:1.00 O B:HOH483 3.2 40.8 1.0 NH1 B:ARG229 3.3 22.7 1.0 CD B:ARG229 3.3 18.3 1.0 O B:HOH526 3.7 31.0 1.0 O A:HOH699 3.9 47.7 1.0 CZ B:ARG229 4.2 20.9 1.0 NE B:ARG229 4.2 18.7 1.0 CG B:ARG229 4.5 16.7 1.0 O A:LYS111 4.5 17.4 1.0 CA A:GLY113 4.7 13.2 1.0 O A:HOH679 4.8 26.2 1.0 N A:GLY113 4.8 12.1 1.0 OE1 B:GLU226 4.9 29.0 1.0

Chlorine binding site 4 out of 5 in the Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl304 b:47.6 occ:1.00 O C:HOH652 2.7 41.2 1.0 N C:LYS297 2.8 28.3 1.0 O B:GLY261 2.8 20.9 1.0 CB C:LYS297 3.5 35.1 1.0 CA C:LYS296 3.5 18.4 1.0 C C:LYS296 3.6 19.8 1.0 C B:GLY261 3.7 25.5 1.0 CA C:LYS297 3.7 34.6 1.0 CA B:GLY261 3.8 20.3 1.0 CG C:LYS297 3.8 54.9 1.0 O C:HOH590 3.9 28.6 1.0 CG C:LYS296 4.0 27.6 1.0 CB C:LYS296 4.3 21.2 1.0 O C:LYS295 4.3 20.5 1.0 O C:HOH404 4.4 48.9 1.0 O B:HOH602 4.5 36.5 1.0 N C:LYS296 4.7 17.8 1.0 O C:LYS297 4.7 41.1 1.0 C C:LYS297 4.8 41.3 1.0 O C:LYS296 4.8 22.1 1.0 C C:LYS295 4.9 19.6 1.0 O B:SER260 4.9 23.0 1.0 N B:VAL262 5.0 17.9 1.0

Chlorine binding site 5 out of 5 in the Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl305 b:64.8 occ:1.00 NE2 C:HIS112 2.8 33.5 1.0 O C:HOH655 3.1 46.8 1.0 NZ C:LYS111 3.2 56.9 1.0 CD1 C:TRP108 3.4 24.3 1.0 CE1 C:HIS112 3.5 36.2 1.0 NE1 C:TRP108 3.6 27.1 1.0 CE C:LYS111 3.7 50.2 1.0 OE2 C:GLU83 3.7 44.7 1.0 CD C:LYS111 3.8 38.6 1.0 CD2 C:HIS112 3.9 26.1 1.0 O C:HOH562 4.1 52.6 1.0 OE1 C:GLU83 4.1 40.4 1.0 CD C:GLU83 4.1 45.6 1.0 CG C:TRP108 4.7 23.0 1.0 ND1 C:HIS112 4.7 30.2 1.0 CG C:LYS111 4.8 33.7 1.0 O C:HOH639 4.9 41.3 1.0 CE2 C:TRP108 4.9 26.6 1.0 CG C:HIS112 4.9 23.9 1.0

H.Li, L.Wu, G.W.Zheng, J.H.Zhou. Apo Structure of An Imine Reductase at 1.76 Angstrom Resolution To Be Published.