Chlorine in PDB 4mgg: Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121, PDB code: 4mgg was solved by M.W.Vetting, X.Zhang, S.R.Wasserman, L.L.Morisco, S.Sojitra, J.B.Bonanno, J.A.Gerlt, S.C.Almo, New York Structural Genomics Research Consortium(Nysgrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.81 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	110.313, 154.897, 181.983, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 21.6

The structure of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 also contains other interesting chemical elements:

Nickel	(Ni)	3 atoms
Magnesium	(Mg)	17 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 (pdb code 4mgg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121, PDB code: 4mgg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:27.6 occ:1.00 H A:LYS45 2.5 17.2 1.0 HA A:LEU44 3.1 16.9 1.0 HD3 A:LYS115 3.1 20.3 1.0 HZ3 A:LYS115 3.3 14.8 1.0 N A:LYS45 3.3 14.3 1.0 HZ3 A:LYS45 3.4 55.3 1.0 HB2 A:LYS45 3.5 22.4 1.0 HD22 A:LEU44 3.5 34.9 1.0 HD23 A:LEU44 3.6 34.9 1.0 HE2 A:LYS115 3.6 12.2 1.0 O A:LYS45 3.7 15.4 1.0 HE2 A:LYS45 3.7 47.3 1.0 CA A:LEU44 3.9 14.1 1.0 CD A:LYS115 3.9 16.9 1.0 CD2 A:LEU44 4.0 29.1 1.0 HB3 A:LEU44 4.0 16.4 1.0 CE A:LYS115 4.0 10.2 1.0 NZ A:LYS45 4.0 46.1 1.0 HZ1 A:LYS45 4.0 55.3 1.0 NZ A:LYS115 4.0 12.3 1.0 C A:LEU44 4.1 19.4 1.0 CA A:LYS45 4.2 16.4 1.0 CB A:LYS45 4.3 18.6 1.0 CE A:LYS45 4.3 39.4 1.0 C A:LYS45 4.4 14.6 1.0 CB A:LEU44 4.4 13.6 1.0 HZ1 A:LYS115 4.5 14.8 1.0 HD3 A:LYS45 4.5 29.2 1.0 HD2 A:LYS115 4.5 20.3 1.0 HE2 A:TYR47 4.5 15.7 1.0 O A:GLY43 4.6 15.2 1.0 HG2 A:LYS115 4.6 22.6 1.0 HZ2 A:LYS115 4.7 14.8 1.0 O A:HOH567 4.7 16.2 1.0 HD21 A:LEU44 4.7 34.9 1.0 HZ2 A:LYS45 4.8 55.3 1.0 CG A:LYS115 4.8 18.8 1.0 CG A:LEU44 4.8 26.1 1.0 CD A:LYS45 4.9 24.4 1.0 HB3 A:LYS45 4.9 22.4 1.0 HB3 A:LYS115 4.9 16.1 1.0 HE3 A:LYS115 4.9 12.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:52.2 occ:1.00 HA B:ALA143 2.9 37.8 1.0 HH21 B:ARG176 3.1 21.9 1.0 O B:HOH689 3.3 42.1 1.0 HD3 B:PRO144 3.6 28.8 1.0 NH2 B:ARG176 3.6 18.2 1.0 HB2 B:ALA143 3.6 22.7 1.0 CA B:ALA143 3.7 31.5 1.0 HH22 B:ARG176 3.7 21.9 1.0 N B:ALA143 4.0 27.6 1.0 CB B:ALA143 4.1 18.9 1.0 H B:ALA143 4.2 33.1 1.0 HD2 B:PRO144 4.3 28.8 1.0 HB1 B:ALA143 4.3 22.7 1.0 O B:GLU142 4.3 25.3 1.0 C B:GLU142 4.3 30.7 1.0 CD B:PRO144 4.4 24.0 1.0 OD2 B:ASP172 4.6 31.8 1.0 HE B:ARG176 4.6 29.3 1.0 CG B:ASP172 4.6 27.8 1.0 CZ B:ARG176 4.6 21.3 1.0 OD1 B:ASP172 4.6 28.6 1.0 HB3 B:ASP172 4.7 31.0 1.0 O B:HOH625 4.9 28.5 1.0 C B:ALA143 4.9 23.4 1.0 HB3 B:ALA143 5.0 22.7 1.0 NE B:ARG176 5.0 24.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl404 b:55.6 occ:1.00 O G:HOH598 3.5 29.8 1.0 HZ3 G:TRP295 3.8 38.7 1.0 HH G:TYR325 3.8 31.5 1.0 HB2 G:ALA138 4.1 26.1 1.0 CZ G:TYR325 4.1 27.1 1.0 HE1 G:PHE322 4.1 27.1 1.0 CE1 G:TYR325 4.2 23.3 1.0 HH G:TYR136 4.2 28.2 1.0 HB3 G:ALA138 4.3 26.1 1.0 OH G:TYR325 4.3 26.3 1.0 HH2 G:TRP295 4.3 41.6 1.0 HE1 G:TYR325 4.4 28.0 1.0 HE1 G:TYR136 4.4 24.9 1.0 CE2 G:TYR325 4.4 21.6 1.0 CZ3 G:TRP295 4.5 32.3 1.0 H G:ALA138 4.5 24.9 1.0 HG1 G:THR320 4.5 47.2 1.0 OH G:TYR136 4.6 23.5 1.0 CD1 G:TYR325 4.7 22.1 1.0 CB G:ALA138 4.7 21.8 1.0 CE1 G:TYR136 4.7 20.8 1.0 CE1 G:PHE322 4.7 22.6 1.0 HE2 G:TYR325 4.7 25.9 1.0 HB G:THR320 4.7 40.6 1.0 CH2 G:TRP295 4.8 34.7 1.0 CZ G:TYR136 4.8 18.4 1.0 HD1 G:PHE322 4.8 21.8 1.0 CD2 G:TYR325 4.8 25.9 1.0 CG G:TYR325 5.0 25.4 1.0

M.W.Vetting, X.Zhang, S.R.Wasserman, L.L.Morisco, S.Sojitra, J.B.Bonanno, J.A.Gerlt, S.C.Almo, New York Structural Genomics Research Consortium (Nysgrc). Crystal Structure of An Enolase (Mandelate Racemase Subgroup) From Labrenzia Aggregata Iam 12614 (Target Nysgrc-012903) with Bound Mg, Space Group P212121 To Be Published.