Manganese in PDB 1loc: Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall

The structure of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall, PDB code: 1loc was solved by Y.Bourne, C.Cambillau, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.580, 139.800, 63.400, 90.00, 91.50, 90.00
R / Rfree (%)	18.9 / n/a

The structure of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Manganese atom in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall (pdb code 1loc). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall, PDB code: 1loc:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn229 b:18.4 occ:1.00 O A:HOH272 0.1 2.0 1.0 OD1 A:ASP129 2.5 13.4 1.0 O A:HOH277 2.5 12.3 1.0 OE2 A:GLU119 2.6 12.2 1.0 OD2 A:ASP121 2.7 23.1 1.0 NE2 A:HIS136 2.7 10.7 1.0 CG A:ASP129 3.4 12.4 1.0 CD A:GLU119 3.4 14.2 1.0 CD2 A:HIS136 3.5 12.5 1.0 OE1 A:GLU119 3.6 14.9 1.0 CG A:ASP121 3.6 16.2 1.0 CE1 A:HIS136 3.7 10.1 1.0 CB A:ASP121 3.8 16.8 1.0 OD2 A:ASP129 3.8 17.6 1.0 O A:HOH271 4.0 19.8 1.0 OG A:SER146 4.3 13.1 1.0 CA A:CA228 4.5 29.8 1.0 O A:ILE144 4.6 12.9 1.0 CB A:ASP129 4.6 14.5 1.0 O A:HOH247 4.6 14.6 1.0 CD1 A:TRP128 4.7 14.1 1.0 OD1 A:ASP121 4.7 21.1 1.0 CD A:PRO130 4.7 16.0 1.0 CG A:HIS136 4.7 12.3 1.0 NE1 A:TRP128 4.7 14.9 1.0 CA A:ASP129 4.8 16.2 1.0 CG A:GLU119 4.8 11.7 1.0 ND1 A:HIS136 4.8 14.3 1.0

Manganese binding site 2 out of 4 in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn459 b:32.4 occ:1.00 O C:HOH488 2.0 25.6 1.0 O C:HOH466 2.0 46.7 1.0 OE2 C:GLU119 2.3 19.5 1.0 OD2 C:ASP121 2.3 36.6 1.0 OD1 C:ASP129 2.3 32.6 1.0 NE2 C:HIS136 2.5 26.0 1.0 CD C:GLU119 3.2 18.3 1.0 CG C:ASP121 3.4 33.6 1.0 CG C:ASP129 3.4 32.0 1.0 OE1 C:GLU119 3.4 20.0 1.0 CE1 C:HIS136 3.4 25.6 1.0 CD2 C:HIS136 3.5 27.4 1.0 CB C:ASP121 3.8 30.0 1.0 OD2 C:ASP129 3.8 31.9 1.0 OG C:SER146 4.2 22.1 1.0 O C:HOH487 4.3 22.9 1.0 OD1 C:ASP121 4.4 34.7 1.0 O C:ILE144 4.4 25.8 1.0 O C:HOH467 4.5 21.7 1.0 ND1 C:HIS136 4.6 27.3 1.0 CG C:GLU119 4.6 19.9 1.0 CB C:ASP129 4.6 31.2 1.0 CG C:HIS136 4.6 25.3 1.0 CD1 C:TRP128 4.8 26.3 1.0 CA C:CA458 4.8 47.8 1.0 CD C:PRO130 4.8 32.8 1.0 CA C:ASP129 4.9 31.1 1.0 NE1 C:TRP128 5.0 27.1 1.0

Manganese binding site 3 out of 4 in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall within 5.0Å range: probe atom residue distance (Å) B Occ E:Mn689 b:33.0 occ:1.00 O E:HOH713 2.0 67.7 1.0 O E:HOH700 2.0 52.9 1.0 OD2 E:ASP121 2.2 16.7 1.0 OE2 E:GLU119 2.5 19.1 1.0 OD1 E:ASP129 2.5 25.2 1.0 NE2 E:HIS136 2.6 18.6 1.0 CG E:ASP121 3.3 17.8 1.0 CD E:GLU119 3.3 19.6 1.0 CG E:ASP129 3.4 24.6 1.0 CD2 E:HIS136 3.4 19.8 1.0 OE1 E:GLU119 3.4 20.6 1.0 CE1 E:HIS136 3.6 18.2 1.0 CB E:ASP121 3.8 17.9 1.0 OD2 E:ASP129 3.9 24.6 1.0 OG E:SER146 4.1 21.0 1.0 OD1 E:ASP121 4.3 23.9 1.0 O E:HOH712 4.3 22.6 1.0 O E:ILE144 4.5 23.3 1.0 CB E:ASP129 4.5 25.7 1.0 CG E:HIS136 4.6 18.3 1.0 ND1 E:HIS136 4.6 20.0 1.0 CD1 E:TRP128 4.6 19.0 1.0 O E:HOH736 4.6 27.1 1.0 NE1 E:TRP128 4.7 18.6 1.0 CG E:GLU119 4.7 15.4 1.0 CD E:PRO130 4.7 27.6 1.0 CA E:ASP129 4.7 25.3 1.0

Manganese binding site 4 out of 4 in the Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall within 5.0Å range: probe atom residue distance (Å) B Occ G:Mn919 b:25.9 occ:1.00 O G:HOH948 1.9 25.6 1.0 O G:HOH947 2.0 20.6 1.0 OD1 G:ASP129 2.3 24.0 1.0 OD2 G:ASP121 2.3 21.8 1.0 OE2 G:GLU119 2.4 16.7 1.0 NE2 G:HIS136 2.6 19.9 1.0 CD G:GLU119 3.2 17.1 1.0 OE1 G:GLU119 3.3 19.0 1.0 CG G:ASP129 3.4 23.4 1.0 CG G:ASP121 3.4 18.2 1.0 CD2 G:HIS136 3.5 19.6 1.0 CE1 G:HIS136 3.6 15.0 1.0 OD2 G:ASP129 3.8 22.8 1.0 CB G:ASP121 3.9 16.4 1.0 O G:HOH946 4.0 23.0 1.0 OG G:SER146 4.1 16.4 1.0 OD1 G:ASP121 4.3 23.8 1.0 O G:ILE144 4.4 18.8 1.0 CA G:CA918 4.5 41.2 1.0 O G:HOH928 4.5 23.7 1.0 CB G:ASP129 4.5 22.6 1.0 ND1 G:HIS136 4.6 19.5 1.0 CG G:HIS136 4.6 17.8 1.0 CG G:GLU119 4.6 16.9 1.0 CD1 G:TRP128 4.6 17.7 1.0 NE1 G:TRP128 4.7 17.8 1.0 CA G:ASP129 4.8 25.9 1.0 CD G:PRO130 4.9 30.9 1.0

Y.Bourne, A.Ayouba, P.Rouge, C.Cambillau. Interaction of A Legume Lectin with Two Components of the Bacterial Cell Wall. A Crystallographic Study. J.Biol.Chem. V. 269 9429 1994.
ISSN: ISSN 0021-9258
PubMed: 8144527