Manganese in PDB 1rir: Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin.

The structure of Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin., PDB code: 1rir was solved by M.Goel, K.J.Kaur, B.G.Maiya, M.J.Swamy, D.M.Salunke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.90
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	94.800, 94.800, 144.000, 90.00, 90.00, 120.00
R / Rfree (%)	23.4 / 28.2

The structure of Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin. also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin. (pdb code 1rir). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin., PDB code: 1rir:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin.


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 Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn247 b:51.8 occ:1.00 NE2 A:HIS137 2.4 37.1 1.0 OE2 A:GLU121 2.5 42.3 1.0 OD2 A:ASP123 2.9 47.1 1.0 OD2 A:ASP132 3.3 88.3 1.0 OD1 A:ASP132 3.3 88.0 1.0 CD2 A:HIS137 3.3 39.6 1.0 CE1 A:HIS137 3.3 38.2 1.0 CG A:ASP132 3.4 88.0 1.0 CD A:GLU121 3.5 41.6 1.0 OE1 A:GLU121 3.7 41.8 1.0 CG A:ASP123 3.9 46.2 1.0 O A:VAL145 3.9 36.7 1.0 CB A:ASP123 4.1 46.4 1.0 OG A:SER147 4.1 83.8 1.0 CA A:ASP132 4.4 67.8 1.0 CB A:ASP132 4.4 86.3 1.0 ND1 A:HIS137 4.5 39.8 1.0 CG A:HIS137 4.5 40.1 1.0 CD A:PRO133 4.5 45.9 1.0 CG A:GLU121 4.8 41.9 1.0 CA A:CA246 4.8 20.8 1.0 CB A:SER147 5.0 84.0 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin.


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 Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn251 b:48.4 occ:1.00 OE2 B:GLU121 2.4 34.2 1.0 NE2 B:HIS137 2.5 41.9 1.0 OD2 B:ASP123 2.9 43.2 1.0 OD1 B:ASP132 3.3 62.6 1.0 CD B:GLU121 3.4 33.5 1.0 OD2 B:ASP132 3.4 62.8 1.0 CD2 B:HIS137 3.5 44.4 1.0 CG B:ASP132 3.5 62.5 1.0 CE1 B:HIS137 3.5 43.0 1.0 OE1 B:GLU121 3.6 33.6 1.0 O B:VAL145 3.7 43.8 1.0 CG B:ASP123 3.9 42.2 1.0 OG B:SER147 4.0 46.9 1.0 CB B:ASP123 4.1 42.5 1.0 CA B:ASP132 4.5 66.6 1.0 CB B:ASP132 4.5 60.9 1.0 ND1 B:HIS137 4.6 44.6 1.0 CG B:HIS137 4.6 44.9 1.0 CD B:PRO133 4.7 44.1 1.0 CG B:GLU121 4.7 33.8 1.0 CA B:CA250 4.8 19.1 1.0 CB B:SER147 4.9 47.1 1.0 N B:SER147 4.9 62.5 1.0 C B:VAL145 5.0 43.6 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin. within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn253 b:51.5 occ:1.00 NE2 C:HIS137 2.3 60.2 1.0 OE2 C:GLU121 2.3 76.6 1.0 O C:HOH258 2.6 33.6 1.0 OD2 C:ASP123 2.7 57.0 1.0 CE1 C:HIS137 3.3 61.2 1.0 CD2 C:HIS137 3.3 62.6 1.0 OD2 C:ASP132 3.3 75.0 1.0 CD C:GLU121 3.3 75.9 1.0 OD1 C:ASP132 3.3 74.7 1.0 CG C:ASP132 3.4 74.7 1.0 OE1 C:GLU121 3.6 76.0 1.0 CG C:ASP123 3.6 56.1 1.0 CB C:ASP123 3.8 56.3 1.0 O C:VAL145 4.0 58.7 1.0 OG C:SER147 4.1 53.5 1.0 ND1 C:HIS137 4.4 62.9 1.0 CG C:HIS137 4.4 63.1 1.0 CA C:ASP132 4.5 0.5 1.0 CB C:ASP132 4.5 73.0 1.0 CD C:PRO133 4.6 75.9 1.0 CA C:CA252 4.7 31.9 1.0 CG C:GLU121 4.7 76.2 1.0 OD1 C:ASP123 4.8 55.0 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Meso-Tetrasulphonatophenylporphyrin in Complex with Peanut Lectin. within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn249 b:54.1 occ:1.00 NE2 D:HIS137 2.3 70.4 1.0 OE2 D:GLU121 2.4 55.6 1.0 OD2 D:ASP123 2.6 61.5 1.0 CE1 D:HIS137 3.3 71.4 1.0 CD2 D:HIS137 3.3 72.8 1.0 OD2 D:ASP132 3.3 83.9 1.0 OD1 D:ASP132 3.3 83.6 1.0 CD D:GLU121 3.4 55.0 1.0 CG D:ASP132 3.4 83.6 1.0 CG D:ASP123 3.6 60.6 1.0 OE1 D:GLU121 3.7 55.1 1.0 CB D:ASP123 3.9 60.8 1.0 O D:VAL145 3.9 52.0 1.0 OG D:SER147 4.1 47.4 1.0 ND1 D:HIS137 4.4 73.0 1.0 CA D:ASP132 4.4 0.0 1.0 CG D:HIS137 4.4 73.3 1.0 CB D:ASP132 4.4 81.9 1.0 CD D:PRO133 4.6 73.9 1.0 CA D:CA248 4.6 28.5 1.0 CG D:GLU121 4.7 55.2 1.0 OD1 D:ASP123 4.8 59.5 1.0 CB D:SER147 5.0 47.7 1.0

M.Goel, R.S.Damai, D.K.Sethi, K.J.Kaur, B.G.Maiya, M.J.Swamy, D.M.Salunke. Crystal Structures of the Pna-Porphyrin Complex in the Presence and Absence of Lactose: Mapping the Conformational Changes on Lactose Binding, Interacting Surfaces, and Supramolecular Aggregations. Biochemistry V. 44 5588 2005.
ISSN: ISSN 0006-2960
PubMed: 15823017
DOI: 10.1021/BI047377S