Chlorine in PDB 6f2c: Methylglyoxal Synthase Mgsa From Bacillus Subtilis

All present enzymatic activity of Methylglyoxal Synthase Mgsa From Bacillus Subtilis:
4.2.3.3;

The structure of Methylglyoxal Synthase Mgsa From Bacillus Subtilis, PDB code: 6f2c was solved by A.Dickmanns, P.Neumann, R.Ficner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.99 / 2.34
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	108.930, 109.710, 199.950, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 20.7

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Chlorine atom in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis (pdb code 6f2c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 23 binding sites of Chlorine where determined in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis, PDB code: 6f2c:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:86.4 occ:1.00 O2 A:GOL202 3.2 69.7 0.9 N A:GLY55 3.5 36.9 1.0 O A:HOH311 3.5 46.1 1.0 O A:HOH306 3.6 48.0 1.0 O A:HOH302 3.7 60.1 1.0 O A:HOH312 4.0 45.2 1.0 C2 A:GOL202 4.0 71.4 0.9 CD2 A:HIS8 4.0 41.4 1.0 O A:ALA7 4.1 46.9 1.0 CA A:GLY55 4.1 42.0 1.0 OG1 A:THR34 4.4 47.9 1.0 CD A:PRO56 4.5 44.1 1.0 C1 A:GOL202 4.5 63.4 0.9 C A:SER54 4.6 43.6 1.0 NZ A:LYS12 4.6 56.1 1.0 CA A:SER54 4.6 45.2 1.0 NE2 A:HIS87 4.7 45.5 1.0 CB A:SER54 4.7 43.0 1.0 CG2 A:ILE6 4.7 34.8 1.0 CA A:HIS8 4.7 43.5 1.0 C A:ALA7 4.7 45.1 1.0 NE2 A:HIS8 4.8 39.3 1.0 NE2 G:GLN48 4.8 52.3 1.0 O1 A:GOL202 4.9 59.6 0.9 N A:HIS8 5.0 45.7 1.0

Chlorine binding site 2 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl201 b:73.6 occ:1.00 O D:HOH330 3.3 72.6 1.0 NZ D:LYS12 3.3 56.3 1.0 CB D:SER54 3.7 50.4 1.0 CA D:GLY35 3.7 50.0 1.0 CA D:SER54 3.9 51.8 1.0 N D:THR36 3.9 53.7 1.0 CE D:LYS12 3.9 56.0 1.0 O D:THR34 4.0 59.8 1.0 CL D:CL203 4.1 69.0 0.5 N D:GLY35 4.2 51.9 1.0 C D:THR34 4.2 56.6 1.0 N D:GLY55 4.3 50.9 1.0 C D:GLY35 4.3 52.7 1.0 OG1 D:THR34 4.3 60.6 1.0 OG1 D:THR37 4.3 60.1 1.0 O D:ALA7 4.4 48.6 1.0 OG1 D:THR36 4.6 69.9 1.0 C D:SER54 4.6 51.0 1.0 N D:THR37 4.7 53.5 1.0 CB D:THR34 4.7 57.5 1.0 OG D:SER54 4.9 51.9 1.0

Chlorine binding site 3 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl202 b:90.8 occ:1.00 O D:HOH332 2.7 65.1 1.0 CE1 D:TYR101 4.3 45.8 1.0 O D:VAL100 4.4 44.9 1.0 O D:HOH322 4.4 44.9 1.0 CD1 D:TYR101 4.4 44.2 1.0 CG1 D:VAL100 4.8 37.9 1.0

Chlorine binding site 4 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl203 b:69.0 occ:0.53 CL D:CL203 0.0 69.0 0.5 CL D:CL203 2.3 53.7 0.5 O D:HOH330 3.3 72.6 1.0 OD1 D:ASP9 3.7 54.9 1.0 CD D:PRO56 4.0 47.8 1.0 NZ D:LYS12 4.1 56.3 1.0 CL D:CL201 4.1 73.6 1.0 CG D:PRO56 4.3 48.1 1.0 CD2 D:HIS8 4.3 43.5 1.0 CA D:HIS8 4.4 47.2 1.0 N D:ASP9 4.4 54.6 1.0 CG D:ASP9 4.4 58.2 1.0 CE1 D:HIS87 4.6 47.3 1.0 OE1 D:GLN85 4.7 60.7 1.0 CG D:HIS8 4.8 45.2 1.0 CB D:HIS8 4.8 41.5 1.0 OD2 D:ASP9 4.8 65.2 1.0 O D:ALA7 4.8 48.6 1.0 C D:HIS8 4.9 52.8 1.0 NE2 D:HIS87 4.9 45.6 1.0

Chlorine binding site 5 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl203 b:53.7 occ:0.47 CL D:CL203 0.0 53.7 0.5 CL D:CL203 2.3 69.0 0.5 N D:ASP9 3.2 54.6 1.0 OE1 D:GLN85 3.5 60.7 1.0 CB D:HIS8 3.6 41.5 1.0 OD1 D:ASP9 3.6 54.9 1.0 CA D:HIS8 3.6 47.2 1.0 CG D:ASP9 3.7 58.2 1.0 CG D:HIS8 3.9 45.2 1.0 C D:HIS8 3.9 52.8 1.0 CB D:ASP9 4.0 56.1 1.0 CD2 D:HIS8 4.1 43.5 1.0 O D:HOH302 4.1 49.3 1.0 OD2 D:ASP9 4.2 65.2 1.0 CA D:ASP9 4.2 58.3 1.0 CD D:GLN85 4.4 59.2 1.0 NE2 D:GLN85 4.6 61.5 1.0 ND1 D:HIS8 4.7 45.4 1.0 NZ D:LYS12 4.8 56.3 1.0 O D:HOH330 4.9 72.6 1.0 CE1 D:HIS87 5.0 47.3 1.0

Chlorine binding site 6 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl201 b:90.7 occ:1.00 O F:ILE49 3.4 55.8 1.0 N F:ILE49 3.6 62.2 1.0 ND1 F:HIS42 3.8 63.5 1.0 CG F:HIS42 3.9 60.3 1.0 CE1 F:HIS42 4.1 65.8 1.0 CA F:ILE49 4.2 58.5 1.0 C F:ILE49 4.2 56.2 1.0 CB F:ILE49 4.3 59.0 1.0 CD2 F:HIS42 4.4 63.2 1.0 CB F:HIS42 4.4 54.2 1.0 NE2 F:GLN48 4.4 0.8 1.0 NE2 F:HIS42 4.5 64.8 1.0 CA F:GLN48 4.5 67.9 1.0 C F:GLN48 4.5 66.4 1.0 CD F:GLN48 4.6 96.1 1.0 O F:LEU47 4.6 62.8 1.0 CG1 F:ILE49 4.8 57.9 1.0 CG F:GLN48 4.8 86.1 1.0 CD F:ARG51 4.9 63.5 1.0

Chlorine binding site 7 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:47.3 occ:0.50 CL C:CL202 0.0 47.3 0.5 CL C:CL202 2.3 59.8 0.5 N C:ILE49 3.4 50.5 1.0 O C:ILE49 3.6 48.1 1.0 CA C:GLN48 3.8 46.2 1.0 C C:GLN48 4.1 50.4 1.0 ND1 C:HIS42 4.2 49.1 1.0 CB C:GLN48 4.2 47.9 1.0 C C:ILE49 4.3 47.7 1.0 CA C:ILE49 4.3 49.2 1.0 CG C:GLN48 4.5 46.2 1.0 CE1 C:HIS42 4.5 50.0 1.0 CG C:HIS42 4.5 48.3 1.0 O C:LEU47 4.7 49.2 1.0 CB C:ILE49 4.9 55.8 1.0 CB C:HIS42 4.9 47.1 1.0 NE2 C:HIS42 5.0 51.6 1.0 CD2 C:HIS42 5.0 46.9 1.0

Chlorine binding site 8 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:59.8 occ:0.50 CL C:CL202 0.0 59.8 0.5 CL C:CL202 2.3 47.3 0.5 O C:ILE49 3.4 48.1 1.0 CD C:ARG51 3.5 70.6 1.0 CG C:ARG51 4.0 59.0 1.0 N C:ILE49 4.1 50.5 1.0 CB C:HIS42 4.2 47.1 1.0 CB C:ILE49 4.3 55.8 1.0 C C:ILE49 4.3 47.7 1.0 CG C:HIS42 4.3 48.3 1.0 CA C:ILE49 4.4 49.2 1.0 NE C:ARG51 4.5 79.0 1.0 CG1 C:ILE49 4.7 56.6 1.0 ND1 C:HIS42 4.7 49.1 1.0 CD2 C:HIS42 4.7 46.9 1.0 O C:GLY38 4.8 44.6 1.0

Chlorine binding site 9 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:95.0 occ:1.00 CE1 C:TYR101 4.3 55.2 1.0 CD1 C:TYR101 4.5 54.5 1.0 O C:VAL100 4.6 49.1 1.0 CG1 C:VAL100 4.8 46.5 1.0 CD2 B:LEU57 4.9 41.9 1.0 CZ C:TYR101 5.0 53.2 1.0

Chlorine binding site 10 out of 23 in the Methylglyoxal Synthase Mgsa From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Methylglyoxal Synthase Mgsa From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:80.2 occ:1.00 O E:HOH340 3.3 72.0 1.0 OE1 E:GLN85 3.6 50.9 0.8 N E:ASP9 3.7 43.8 1.0 OD1 E:ASP9 3.9 54.8 1.0 CB E:HIS8 3.9 39.9 1.0 CA E:HIS8 4.0 40.2 1.0 CG E:ASP9 4.0 52.5 1.0 CG E:HIS8 4.0 43.1 1.0 CD2 E:HIS8 4.1 41.4 1.0 OD2 E:ASP9 4.3 57.7 1.0 C E:HIS8 4.4 43.9 1.0 CB E:ASP9 4.5 47.1 1.0 O E:HOH347 4.5 47.7 1.0 CE1 E:HIS87 4.5 43.8 1.0 CD E:GLN85 4.6 52.6 1.0 CA E:ASP9 4.7 45.4 1.0 O E:HOH312 4.8 42.4 1.0 NE2 E:GLN85 4.8 55.8 1.0 NZ E:LYS12 4.8 48.1 1.0 ND1 E:HIS8 4.9 43.5 1.0 NE2 E:HIS8 4.9 41.5 1.0

A.Dickmanns, C.P.Zschiedrich, J.Arens, I.Parfentev, J.Gundlach, R.Hofele, P.Neumann, H.Urlaub, B.Gorke, R.Ficner, J.Stulke. Structural Basis For the Regulatory Interaction of the Methylglyoxal Synthase Mgsa with the Carbon Flux Regulator Crh Inbacillus Subtilis. J. Biol. Chem. V. 293 5781 2018.
ISSN: ESSN 1083-351X
PubMed: 29514981
DOI: 10.1074/JBC.RA117.001289