Manganese in PDB 1bzw: Peanut Lectin Complexed with C-Lactose

The structure of Peanut Lectin Complexed with C-Lactose, PDB code: 1bzw was solved by R.Ravishankar, A.Surolia, M.Vijayan, S.Lim, Y.Kishi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	129.121, 126.748, 76.900, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.7

The structure of Peanut Lectin Complexed with C-Lactose also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

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

Manganese binding site 1 out of 4 in the Peanut Lectin Complexed with C-Lactose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Peanut Lectin Complexed with C-Lactose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn409 b:35.8 occ:1.00 O A:HOH488 2.1 6.7 1.0 OD1 A:ASP132 2.1 18.1 1.0 OD2 A:ASP123 2.1 2.0 1.0 O A:HOH487 2.2 6.1 1.0 NE2 A:HIS137 2.3 18.8 1.0 OE2 A:GLU121 2.3 9.9 1.0 CG A:ASP132 3.0 24.0 1.0 CG A:ASP123 3.1 2.0 1.0 CE1 A:HIS137 3.2 19.4 1.0 CD2 A:HIS137 3.3 17.6 1.0 CD A:GLU121 3.3 13.8 1.0 CB A:ASP123 3.4 2.0 1.0 OD2 A:ASP132 3.4 25.6 1.0 OE1 A:GLU121 3.6 11.4 1.0 O A:HOH485 3.9 14.9 1.0 OD1 A:ASP123 4.1 2.0 1.0 CA A:CA408 4.2 10.0 1.0 OG A:SER147 4.2 5.7 1.0 CB A:ASP132 4.3 19.5 1.0 ND1 A:HIS137 4.3 20.8 1.0 CG A:HIS137 4.4 20.5 1.0 O A:VAL145 4.5 4.1 1.0 CD A:PRO133 4.6 24.5 1.0 CG A:GLU121 4.6 6.3 1.0 CA A:ASP132 4.7 24.1 1.0 O A:HOH416 4.9 49.0 1.0 CA A:ASP123 4.9 5.3 1.0

Manganese binding site 2 out of 4 in the Peanut Lectin Complexed with C-Lactose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Peanut Lectin Complexed with C-Lactose within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn411 b:36.0 occ:1.00 OD2 B:ASP123 1.9 19.5 1.0 O B:HOH512 2.1 7.9 1.0 OE2 B:GLU121 2.2 14.4 1.0 OD1 B:ASP132 2.2 16.7 1.0 O B:HOH511 2.3 2.6 1.0 NE2 B:HIS137 2.3 13.1 1.0 CG B:ASP123 2.8 17.3 1.0 CG B:ASP132 3.1 15.3 1.0 CE1 B:HIS137 3.2 13.4 1.0 CB B:ASP123 3.2 14.8 1.0 CD B:GLU121 3.3 15.7 1.0 CD2 B:HIS137 3.4 10.9 1.0 OD2 B:ASP132 3.4 10.9 1.0 OE1 B:GLU121 3.6 22.4 1.0 OD1 B:ASP123 3.9 19.0 1.0 CA B:CA410 3.9 14.8 1.0 O B:HOH509 4.1 9.0 1.0 ND1 B:HIS137 4.4 12.5 1.0 CB B:ASP132 4.4 14.5 1.0 OG B:SER147 4.4 13.1 1.0 CG B:HIS137 4.5 14.6 1.0 O B:VAL145 4.5 7.4 1.0 CG B:GLU121 4.6 13.1 1.0 O B:HOH414 4.6 27.2 1.0 CA B:ASP123 4.7 14.5 1.0 CD B:PRO133 4.8 25.3 1.0 CA B:ASP132 4.8 33.5 1.0

Manganese binding site 3 out of 4 in the Peanut Lectin Complexed with C-Lactose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Peanut Lectin Complexed with C-Lactose within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn413 b:39.4 occ:1.00 OD2 C:ASP123 2.0 30.4 1.0 O C:HOH489 2.1 46.1 1.0 O C:HOH488 2.2 4.4 1.0 OE2 C:GLU121 2.2 17.8 1.0 OD1 C:ASP132 2.2 20.3 1.0 NE2 C:HIS137 2.2 21.2 1.0 CG C:ASP123 3.0 19.2 1.0 CG C:ASP132 3.1 21.8 1.0 CE1 C:HIS137 3.2 22.3 1.0 CD C:GLU121 3.3 18.9 1.0 CD2 C:HIS137 3.3 14.9 1.0 CB C:ASP123 3.3 9.4 1.0 OD2 C:ASP132 3.4 18.7 1.0 OE1 C:GLU121 3.6 18.5 1.0 O C:HOH486 3.9 19.3 1.0 OD1 C:ASP123 4.0 26.5 1.0 CA C:CA412 4.2 19.8 1.0 ND1 C:HIS137 4.3 22.6 1.0 OG C:SER147 4.3 24.3 1.0 CB C:ASP132 4.3 21.8 1.0 CG C:HIS137 4.4 19.3 1.0 O C:VAL145 4.5 24.8 1.0 CG C:GLU121 4.6 16.9 1.0 CD C:PRO133 4.6 24.7 1.0 CA C:ASP132 4.7 25.3 1.0 CA C:ASP123 4.8 8.9 1.0

Manganese binding site 4 out of 4 in the Peanut Lectin Complexed with C-Lactose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Peanut Lectin Complexed with C-Lactose within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn415 b:42.3 occ:1.00 O D:HOH488 1.9 48.8 1.0 OE2 D:GLU121 2.0 13.5 1.0 O D:HOH489 2.0 26.7 1.0 OD2 D:ASP123 2.1 21.8 1.0 OD1 D:ASP132 2.4 31.0 1.0 NE2 D:HIS137 2.5 9.1 1.0 CD D:GLU121 3.0 9.4 1.0 CG D:ASP123 3.1 16.7 1.0 OE1 D:GLU121 3.3 13.6 1.0 CG D:ASP132 3.3 28.2 1.0 CB D:ASP123 3.3 10.5 1.0 CD2 D:HIS137 3.4 8.1 1.0 CE1 D:HIS137 3.4 14.2 1.0 OD2 D:ASP132 3.7 27.5 1.0 OG D:SER147 4.1 20.1 1.0 CA D:CA414 4.1 13.6 1.0 OD1 D:ASP123 4.2 17.4 1.0 CG D:GLU121 4.3 8.3 1.0 O D:VAL145 4.3 9.9 1.0 O D:HOH486 4.4 14.3 1.0 ND1 D:HIS137 4.5 16.6 1.0 CG D:HIS137 4.6 13.9 1.0 CB D:ASP132 4.6 23.3 1.0 CA D:ASP123 4.8 7.6 1.0 O D:HOH464 4.9 35.4 1.0 CD D:PRO133 4.9 41.6 1.0 CA D:ASP132 5.0 25.1 1.0

R.Ravishankar, A.Surolia, M.Vijayan, S.Lim, Y.Kishi. Preferred Conformation of C-Lactose at the Free and Peanut Lectin Bound States J.Am.Chem.Soc. V. 120 11297 1998.
ISSN: ISSN 0002-7863