Manganese 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:

Chlorine

(Cl)

3 atoms

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese 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 Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 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 Manganese with other atoms in the Mn 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:Mn362 b:58.0 occ:1.00 NE2 A:HIS296 2.1 37.2 1.0 OD2 A:ASP333 2.2 65.8 1.0 OE1 A:GLU322 2.4 35.6 1.0 OE2 A:GLU322 2.4 37.2 1.0 SG A:CYS126 2.5 35.8 1.0 CD A:GLU322 2.7 32.5 1.0 CE1 A:HIS296 2.8 38.7 1.0 CB A:CYS126 3.2 31.6 1.0 CD2 A:HIS296 3.2 36.2 1.0 CG A:ASP333 3.3 63.6 1.0 CA A:CYS126 3.9 30.4 1.0 ND1 A:HIS296 4.0 37.3 1.0 CB A:ASP333 4.0 57.8 1.0 O1 A:PEP1268 4.1 34.3 0.8 CG A:GLU322 4.1 30.5 1.0 OD1 A:ASP333 4.2 67.9 1.0 CG A:HIS296 4.2 35.1 1.0 NH2 A:ARG150 4.6 39.2 1.0 C1 A:PEP1268 4.7 34.9 0.8 NZ A:LYS155 4.7 39.0 1.0 C A:CYS126 4.8 30.4 1.0 N A:CYS126 4.9 29.6 1.0

Manganese binding site 2 out of 2 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 Manganese with other atoms in the Mn 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 B:Mn362 b:45.5 occ:1.00 NE2 B:HIS296 2.2 33.3 1.0 OD2 B:ASP333 2.2 45.0 1.0 OE1 B:GLU322 2.3 30.5 1.0 SG B:CYS126 2.4 31.3 1.0 OE2 B:GLU322 2.4 34.2 1.0 CD B:GLU322 2.7 30.0 1.0 CE1 B:HIS296 3.0 33.8 1.0 CB B:CYS126 3.0 28.4 1.0 CD2 B:HIS296 3.2 33.5 1.0 CG B:ASP333 3.2 43.3 1.0 O B:HOH385 3.5 50.2 1.0 CB B:ASP333 3.7 40.2 1.0 CA B:CYS126 3.9 26.7 1.0 CG B:GLU322 4.1 28.9 1.0 ND1 B:HIS296 4.1 34.4 1.0 OD1 B:ASP333 4.2 44.2 1.0 CG B:HIS296 4.3 32.9 1.0 O1 B:PEP1269 4.4 32.0 0.8 NH2 B:ARG150 4.8 36.6 1.0 NZ B:LYS155 4.9 36.4 1.0 N B:CYS126 4.9 25.8 1.0 C B:CYS126 4.9 26.5 1.0 C1 B:PEP1269 5.0 35.8 0.8 CB B:GLU322 5.0 26.7 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