Chlorine in PDB 4ot7: X-Structure of A Variant of Ncr From Zymomonas Mobilis

The structure of X-Structure of A Variant of Ncr From Zymomonas Mobilis, PDB code: 4ot7 was solved by M.Genz, N.Strater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.70 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.240, 121.240, 58.650, 90.00, 90.00, 120.00
R / Rfree (%)	17 / 19.6

The binding sites of Chlorine atom in the X-Structure of A Variant of Ncr From Zymomonas Mobilis (pdb code 4ot7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Structure of A Variant of Ncr From Zymomonas Mobilis, PDB code: 4ot7:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the X-Structure of A Variant of Ncr From Zymomonas Mobilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Structure of A Variant of Ncr From Zymomonas Mobilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:33.9 occ:0.70 N A:ARG9 3.0 19.6 1.0 O A:HOH720 3.0 48.9 1.0 O A:HOH569 3.1 40.8 1.0 O A:HOH704 3.3 53.0 1.0 O A:HOH536 3.4 29.3 1.0 CA A:ILE8 3.7 20.5 1.0 CB A:ARG9 3.7 21.1 1.0 C A:ILE8 3.9 21.8 1.0 CA A:ARG9 3.9 18.6 1.0 NH2 A:ARG18 3.9 24.4 1.0 CG A:ARG9 4.1 21.6 1.0 CG1 A:ILE8 4.2 23.8 1.0 O A:PRO7 4.4 24.0 1.0 O A:ARG9 4.5 21.9 1.0 CB A:ILE8 4.5 21.8 1.0 N A:ILE8 4.6 20.4 1.0 C A:ARG9 4.7 19.6 1.0 O A:HOH540 4.8 34.1 1.0 O A:HOH636 4.8 48.5 1.0 C A:PRO7 4.9 23.8 1.0

Chlorine binding site 2 out of 6 in the X-Structure of A Variant of Ncr From Zymomonas Mobilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Structure of A Variant of Ncr From Zymomonas Mobilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:36.9 occ:0.90 CG A:GLU219 3.0 28.6 0.5 N A:GLU219 3.1 21.1 1.0 CB A:GLU219 3.3 25.1 0.5 CG A:GLU219 3.3 20.5 0.5 CB A:GLU219 3.3 20.5 0.5 CA A:GLY217 3.4 20.1 1.0 N A:LYS218 3.4 20.1 1.0 C A:GLY217 3.5 21.0 1.0 O A:HOH686 3.7 22.4 1.0 CA A:GLU219 3.8 23.0 0.5 CA A:GLU219 3.8 21.0 0.5 CD A:GLU219 4.0 20.0 0.5 CG A:LYS218 4.1 21.4 1.0 NH1 A:ARG220 4.1 21.9 1.0 C A:LYS218 4.2 22.1 1.0 CA A:LYS218 4.3 21.7 1.0 CD A:GLU219 4.3 33.2 0.5 O A:GLY217 4.3 19.1 1.0 OE1 A:GLU219 4.4 26.1 0.5 OE2 A:GLU219 4.5 20.0 0.5 OE2 A:GLU219 4.6 32.4 0.5 O A:ILE216 4.6 21.1 1.0 N A:GLY217 4.7 21.7 1.0 C A:GLU219 4.7 19.4 1.0 N A:ARG220 4.7 20.9 1.0 CB A:LYS218 4.8 21.0 1.0

Chlorine binding site 3 out of 6 in the X-Structure of A Variant of Ncr From Zymomonas Mobilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Structure of A Variant of Ncr From Zymomonas Mobilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:51.8 occ:0.90 N A:GLU37 3.3 26.6 1.0 O A:HOH520 3.5 26.6 1.0 CA A:THR36 3.7 25.9 1.0 CB A:THR36 3.7 26.4 1.0 CG A:GLU37 3.7 36.9 0.5 O A:HOH556 3.9 35.2 1.0 C A:THR36 4.0 27.1 1.0 CB A:GLU37 4.0 32.0 0.5 CG2 A:THR36 4.1 27.6 1.0 CB A:GLU37 4.2 32.0 0.5 CD A:GLU37 4.2 41.7 0.5 CA A:GLU37 4.3 28.3 0.5 CA A:GLU37 4.3 28.4 0.5 OE2 A:GLU37 4.4 46.1 0.5 O A:HOH524 4.8 43.2 1.0 OE1 A:GLU37 5.0 40.8 0.5 N A:THR36 5.0 23.1 1.0

Chlorine binding site 4 out of 6 in the X-Structure of A Variant of Ncr From Zymomonas Mobilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Structure of A Variant of Ncr From Zymomonas Mobilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:41.2 occ:0.60 N A:SER60 3.0 33.1 1.0 N A:ILE59 3.1 26.2 1.0 O A:SER60 3.2 43.5 1.0 OG A:SER60 3.3 53.5 1.0 O A:TRP100 3.6 28.1 1.0 CA A:GLY58 3.6 23.9 1.0 O A:GLY63 3.7 0.3 1.0 C A:GLY58 3.8 23.8 1.0 C A:GLY63 3.8 0.2 1.0 CA A:SER60 3.9 41.0 1.0 N A:LEU64 3.9 0.4 1.0 C A:ILE59 3.9 30.2 1.0 O A:HOH731 3.9 39.5 1.0 C A:SER60 4.0 41.4 1.0 CA A:ILE59 4.0 26.8 1.0 CA A:LEU64 4.1 0.2 1.0 CG1 A:ILE59 4.1 28.5 1.0 CB A:SER60 4.1 42.8 1.0 CB A:LEU64 4.3 92.3 1.0 CA A:GLY63 4.4 99.6 1.0 CB A:ILE59 4.6 25.7 1.0 C A:TRP100 4.6 27.2 1.0 CD1 A:LEU64 4.7 60.2 1.0 N A:GLY63 4.8 89.7 1.0 O A:GLY58 4.8 23.4 1.0 CZ3 A:TRP73 4.8 28.0 1.0 CA A:HIS101 4.9 39.5 1.0 CG A:LEU64 4.9 77.3 1.0

Chlorine binding site 5 out of 6 in the X-Structure of A Variant of Ncr From Zymomonas Mobilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Structure of A Variant of Ncr From Zymomonas Mobilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl406 b:35.3 occ:0.70 N A:ASP75 3.2 25.9 1.0 O A:HOH697 3.2 26.8 1.0 O A:HOH724 3.3 46.3 1.0 O A:HOH663 3.3 40.7 1.0 CA A:SER74 3.7 25.0 1.0 CG A:ASP75 3.8 41.2 1.0 CB A:ASP75 3.9 32.6 1.0 C A:SER74 3.9 26.4 1.0 CB A:SER74 4.0 24.6 1.0 OD2 A:ASP75 4.0 42.5 1.0 OD1 A:ASP75 4.0 39.6 1.0 CA A:ASP75 4.1 28.2 1.0 O A:HOH610 4.5 38.7 1.0 O A:HOH608 4.6 59.3 1.0 O A:TRP73 4.7 24.3 1.0 OG A:SER74 4.9 24.0 1.0 N A:ALA76 5.0 27.0 1.0 N A:SER74 5.0 23.1 1.0

Chlorine binding site 6 out of 6 in the X-Structure of A Variant of Ncr From Zymomonas Mobilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Structure of A Variant of Ncr From Zymomonas Mobilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:49.8 occ:0.90 OD1 A:ASP340 3.0 46.7 1.0 O A:HOH656 3.0 42.6 1.0 O A:HOH605 3.3 45.3 1.0 CB A:ARG319 3.4 21.3 1.0 O A:HOH514 3.5 24.8 1.0 C A:ARG319 4.0 18.2 1.0 CG A:ASP340 4.0 41.1 1.0 O A:HOH529 4.1 28.9 1.0 N A:PRO320 4.1 20.0 1.0 OD2 A:ASP340 4.2 37.3 1.0 O A:ARG319 4.3 23.2 1.0 CA A:ARG319 4.3 20.5 1.0 CD A:PRO320 4.5 22.8 1.0 CA A:PRO320 4.5 22.6 1.0 CG A:ARG319 4.6 20.2 1.0 CG A:PRO320 4.6 24.3 1.0 CD A:ARG319 4.7 23.8 1.0

S.Reich, M.Widmann, M.Genz, B.M.Nestl, B.Hauer. Surface Loops Representing Enzyme Modifying Element in the Field of Tuning Enzyme Properties To Be Published.