Chlorine in PDB 3tfc: 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate

The structure of 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate, PDB code: 3tfc was solved by S.H.Light, G.Minasov, A.S.Halavaty, L.Shuvalova, K.Kwon, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.95
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	110.161, 110.890, 80.230, 90.00, 127.21, 90.00
R / Rfree (%)	17.5 / 20.5

The structure of 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate (pdb code 3tfc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate, PDB code: 3tfc:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl363 b:35.9 occ:0.40 CL A:CL363 0.0 35.9 0.4 CL A:CL363 1.7 56.8 0.6 O A:HOH512 2.8 45.4 1.0 N A:THR158 3.0 31.2 1.0 NE A:ARG157 3.1 38.0 1.0 CA A:ARG157 3.5 32.6 1.0 OG1 A:THR158 3.5 31.6 1.0 C A:ARG157 3.7 32.0 1.0 CB A:ARG157 3.8 32.7 1.0 CB A:THR158 3.8 31.5 1.0 CD A:ARG157 3.9 36.2 1.0 NH2 A:ARG157 3.9 41.1 1.0 CZ A:ARG157 3.9 42.2 1.0 CA A:THR158 4.0 30.6 1.0 CG A:ARG157 4.4 35.5 1.0 O A:PRO156 4.5 41.5 1.0 O A:HOH531 4.6 48.9 1.0 OD2 A:ASP162 4.7 44.9 1.0 N A:SER159 4.7 30.2 1.0 N A:ARG157 4.7 34.5 1.0 O A:ARG157 4.9 29.0 1.0 C A:THR158 4.9 30.9 1.0

Chlorine binding site 2 out of 3 in the 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl363 b:56.8 occ:0.60 CL A:CL363 0.0 56.8 0.6 CL A:CL363 1.7 35.9 0.4 OG1 A:THR158 3.9 31.6 1.0 NE A:ARG157 4.0 38.0 1.0 N A:THR158 4.3 31.2 1.0 O A:HOH512 4.4 45.4 1.0 NH2 A:ARG157 4.5 41.1 1.0 CB A:THR158 4.6 31.5 1.0 CZ A:ARG157 4.7 42.2 1.0 CA A:ARG157 4.8 32.6 1.0 CD A:ARG157 4.8 36.2 1.0 NH2 A:ARG210 4.9 41.1 1.0 O A:PRO156 4.9 41.5 1.0

Chlorine binding site 3 out of 3 in the 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.95 Angstrom Crystal Structure of A Bifunctional 3-Deoxy-7- Phosphoheptulonate Synthase/Chorismate Mutase (Aroa) From Listeria Monocytogenes Egd-E in Complex with Phosphoenolpyruvate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl363 b:60.3 occ:1.00 O B:HOH432 3.3 37.0 1.0 NE B:ARG157 3.4 30.5 1.0 N B:THR158 3.5 27.4 1.0 OG1 B:THR158 3.7 29.8 1.0 CA B:ARG157 3.9 28.9 1.0 NH2 B:ARG157 4.0 36.5 1.0 CB B:THR158 4.1 29.1 1.0 C B:ARG157 4.2 27.8 1.0 CZ B:ARG157 4.2 34.4 1.0 CB B:ARG157 4.3 29.0 1.0 CD B:ARG157 4.3 30.5 1.0 CA B:THR158 4.4 28.0 1.0 O B:HOH534 4.5 48.4 1.0 O B:HOH498 4.5 52.4 1.0 O B:PRO156 4.7 34.3 1.0 CG B:ARG157 4.9 30.6 1.0 OD2 B:ASP162 5.0 37.1 1.0

S.H.Light, A.S.Halavaty, G.Minasov, L.Shuvalova, W.F.Anderson. Structural Analysis of A 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with An N-Terminal Chorismate Mutase-Like Regulatory Domain. Protein Sci. V. 21 887 2012.
ISSN: ISSN 0961-8368
PubMed: 22505283
DOI: 10.1002/PRO.2075