Manganese in PDB 4qtg: Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 (Target Efi-505250) From Novosphingobium Aromaticivorans Dsm 12444 Complexed with Manganese

The structure of Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 (Target Efi-505250) From Novosphingobium Aromaticivorans Dsm 12444 Complexed with Manganese, PDB code: 4qtg was solved by Y.Patskovsky, A.Vladimirova, R.Toro, R.Bhosle, J.A.Gerlt, F.M.Raushel, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.47
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.468, 85.486, 141.623, 90.00, 90.00, 90.00
R / Rfree (%)	12 / 16.4

The binding sites of Manganese atom in the Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 (Target Efi-505250) From Novosphingobium Aromaticivorans Dsm 12444 Complexed with Manganese (pdb code 4qtg). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 (Target Efi-505250) From Novosphingobium Aromaticivorans Dsm 12444 Complexed with Manganese, PDB code: 4qtg:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 (Target Efi-505250) From Novosphingobium Aromaticivorans Dsm 12444 Complexed with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 (Target Efi-505250) From Novosphingobium Aromaticivorans Dsm 12444 Complexed with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:18.2 occ:1.00 OE2 A:GLU19 2.1 17.2 1.0 OD1 A:ASP314 2.1 19.5 1.0 O A:HOH688 2.2 26.9 1.0 O A:HOH875 2.2 19.3 1.0 NE2 A:HIS188 2.2 19.1 1.0 O A:HOH662 2.2 22.9 1.0 CG A:ASP314 3.1 20.5 1.0 CE1 A:HIS188 3.2 21.0 1.0 CD2 A:HIS188 3.2 19.3 1.0 CD A:GLU19 3.2 17.6 1.0 OD2 A:ASP314 3.4 19.3 1.0 CG A:GLU19 3.7 16.4 1.0 O A:GLU19 4.1 17.8 1.0 O A:HOH658 4.2 20.5 1.0 O A:HOH661 4.2 45.4 1.0 OE1 A:GLU19 4.3 16.3 1.0 ND1 A:HIS188 4.3 17.2 1.0 NE2 A:HIS241 4.3 16.9 1.0 CG A:HIS188 4.3 17.5 1.0 CB A:ASP314 4.4 15.9 1.0 O A:HOH557 4.5 17.4 1.0 CE1 A:HIS241 4.5 18.7 1.0 O B:HOH628 4.7 27.4 1.0 CA A:ASP314 4.8 14.4 1.0 CB A:GLU19 4.8 15.9 1.0 C A:GLU19 5.0 18.5 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 (Target Efi-505250) From Novosphingobium Aromaticivorans Dsm 12444 Complexed with Manganese


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 (Target Efi-505250) From Novosphingobium Aromaticivorans Dsm 12444 Complexed with Manganese within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:17.7 occ:1.00 OD1 B:ASP314 2.1 18.5 1.0 OE2 B:GLU19 2.1 15.4 1.0 NE2 B:HIS188 2.2 18.6 1.0 O B:HOH788 2.2 23.8 1.0 O B:HOH685 2.2 27.9 1.0 O B:HOH610 2.2 18.0 1.0 CG B:ASP314 3.0 18.3 1.0 CD2 B:HIS188 3.2 16.8 1.0 CE1 B:HIS188 3.2 18.6 1.0 CD B:GLU19 3.3 15.6 1.0 OD2 B:ASP314 3.4 20.1 1.0 CG B:GLU19 3.7 16.9 1.0 O B:HOH855 4.1 31.5 1.0 O B:HOH589 4.2 18.9 1.0 O B:GLU19 4.2 18.2 1.0 ND1 B:HIS188 4.3 17.3 1.0 CG B:HIS188 4.3 15.2 1.0 OE1 B:GLU19 4.3 17.3 1.0 NE2 B:HIS241 4.4 16.2 1.0 CB B:ASP314 4.4 15.4 1.0 O B:HOH568 4.5 19.4 1.0 CE1 B:HIS241 4.6 18.2 1.0 O A:HOH562 4.7 25.1 1.0 CA B:ASP314 4.8 14.7 1.0 CB B:GLU19 4.8 15.7 1.0

Y.Patskovsky, A.Vladimirova, R.Toro, R.Bhosle, F.M.Raushel, S.C.Almo. Crystal Structure of 5-Carboxyvanillate Decarboxylase LIGW2 From Novosphingobium Aromaticivorans To Be Published.