Chlorine in PDB 6znu: Maeb Pta Domain E544R Mutant

All present enzymatic activity of Maeb Pta Domain E544R Mutant:
1.1.1.40;

The structure of Maeb Pta Domain E544R Mutant, PDB code: 6znu was solved by A.L.Lovering, C.J.Harding, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.86 / 2.33
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	129.09, 182.85, 119.66, 90, 117.69, 90
R / Rfree (%)	19.6 / 23.6

The binding sites of Chlorine atom in the Maeb Pta Domain E544R Mutant (pdb code 6znu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Maeb Pta Domain E544R Mutant, PDB code: 6znu:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Maeb Pta Domain E544R Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Maeb Pta Domain E544R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl802 b:47.4 occ:1.00 N A:TYR576 3.2 39.3 1.0 NE2 G:GLN683 3.5 40.2 1.0 C2P A:ACO801 3.7 57.7 1.0 CB A:ASN575 3.7 49.9 1.0 CA A:ASN575 3.7 46.2 1.0 CB A:TYR576 3.8 40.1 1.0 C A:ASN575 4.0 42.4 1.0 CA A:TYR576 4.1 43.3 1.0 O A:ACO801 4.2 58.3 1.0 C A:ACO801 4.6 55.0 1.0 S1P A:ACO801 4.6 58.0 1.0 CD G:GLN683 4.6 51.1 1.0 CB A:ARG749 4.8 51.9 1.0 ND2 G:ASN651 4.9 44.0 1.0 OE1 G:GLN683 4.9 40.2 1.0 CG A:ASN575 4.9 47.7 1.0 C3P A:ACO801 5.0 51.8 1.0

Chlorine binding site 2 out of 6 in the Maeb Pta Domain E544R Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Maeb Pta Domain E544R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl803 b:50.9 occ:1.00 N G:TYR576 3.2 40.0 1.0 NE2 A:GLN683 3.5 44.8 1.0 C2P G:ACO801 3.7 72.9 1.0 CB G:ASN575 3.7 52.8 1.0 CB G:TYR576 3.8 38.7 1.0 CA G:ASN575 3.8 58.4 1.0 O G:ACO801 4.1 71.4 1.0 C G:ASN575 4.1 50.3 1.0 CA G:TYR576 4.2 42.6 1.0 C G:ACO801 4.5 73.9 1.0 S1P G:ACO801 4.5 75.2 1.0 CD A:GLN683 4.5 51.4 1.0 OE1 A:GLN683 4.7 45.0 1.0 CB G:ARG749 4.8 50.9 1.0 C3P G:ACO801 5.0 70.9 1.0 CG G:ASN575 5.0 54.3 1.0

Chlorine binding site 3 out of 6 in the Maeb Pta Domain E544R Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Maeb Pta Domain E544R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl802 b:49.0 occ:1.00 N B:TYR576 3.2 38.9 1.0 NE2 C:GLN683 3.4 31.9 1.0 CB B:TYR576 3.7 39.5 1.0 CB B:ASN575 3.8 50.4 1.0 CA B:ASN575 3.8 50.2 1.0 O B:ACO801 3.9 48.2 1.0 C B:ASN575 4.0 54.5 1.0 CA B:TYR576 4.1 39.7 1.0 C B:ACO801 4.3 49.6 1.0 S1P B:ACO801 4.4 52.2 1.0 CD C:GLN683 4.5 44.5 1.0 C2P B:ACO801 4.7 58.0 1.0 CB B:ARG749 4.7 41.9 1.0 ND2 C:ASN651 4.8 42.4 1.0 OE1 C:GLN683 4.8 48.6 1.0 N4P B:ACO801 4.9 58.4 1.0 CG B:ASN575 5.0 56.7 1.0

Chlorine binding site 4 out of 6 in the Maeb Pta Domain E544R Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Maeb Pta Domain E544R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl802 b:59.7 occ:1.00 N C:TYR576 3.3 36.3 1.0 NE2 B:GLN683 3.5 47.8 1.0 CB C:ASN575 3.7 48.7 1.0 C2P C:ACO801 3.7 64.4 1.0 CB C:TYR576 3.8 44.4 1.0 CA C:ASN575 3.9 48.8 1.0 C C:ASN575 4.1 45.4 1.0 CA C:TYR576 4.2 41.6 1.0 O C:ACO801 4.3 64.8 1.0 S1P C:ACO801 4.5 68.4 1.0 C C:ACO801 4.6 68.8 1.0 CD B:GLN683 4.7 54.4 1.0 ND2 B:ASN651 4.8 45.8 1.0 CB C:ARG749 4.8 50.5 1.0 CG C:ASN575 4.9 53.0 1.0 O5P C:ACO801 5.0 64.9 1.0

Chlorine binding site 5 out of 6 in the Maeb Pta Domain E544R Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Maeb Pta Domain E544R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl802 b:52.1 occ:1.00 NE2 E:GLN683 3.3 49.9 1.0 N D:TYR576 3.3 35.1 1.0 C2P D:ACO801 3.7 52.0 1.0 CB D:TYR576 3.8 35.1 1.0 CB D:ASN575 3.9 43.5 1.0 CA D:ASN575 4.0 45.5 1.0 C D:ASN575 4.2 44.5 1.0 CA D:TYR576 4.2 33.6 1.0 O D:ACO801 4.2 58.4 1.0 S1P D:ACO801 4.3 60.1 1.0 C D:ACO801 4.4 60.2 1.0 CD E:GLN683 4.4 50.5 1.0 OE1 E:GLN683 4.8 47.0 1.0 CB D:ARG749 4.8 43.8 1.0 ND2 E:ASN651 4.8 38.3 1.0 O5P D:ACO801 4.9 61.4 1.0

Chlorine binding site 6 out of 6 in the Maeb Pta Domain E544R Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Maeb Pta Domain E544R Mutant within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl802 b:65.9 occ:1.00 N E:TYR576 3.4 48.6 1.0 C2P E:ACO801 3.4 91.2 1.0 CH3 E:ACO801 3.5 93.3 1.0 NE2 D:GLN683 3.6 39.0 1.0 CB E:TYR576 3.7 56.2 1.0 CB E:ASN575 3.8 61.8 1.0 S1P E:ACO801 3.9 94.9 1.0 C E:ACO801 4.1 94.6 1.0 CA E:ASN575 4.1 58.8 1.0 CA E:TYR576 4.2 54.3 1.0 C E:ASN575 4.3 54.4 1.0 O5P E:ACO801 4.6 98.8 1.0 CD D:GLN683 4.6 47.4 1.0 C3P E:ACO801 4.8 89.6 1.0 OE1 D:GLN683 4.9 51.5 1.0 CG E:ASN575 4.9 68.2 1.0

A.L.Lovering, C.J.Harding. A Rotary Mechanism For Allostery in Bacterial Hybrid Malic Enzymes To Be Published.