Manganese in PDB 1rin: X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution

The structure of X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution, PDB code: 1rin was solved by J.M.Rini, K.D.Hardman, H.Einspahr, F.L.Suddath, J.P.Carver, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.300, 73.400, 108.500, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / n/a

The structure of X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Manganese atom in the X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution (pdb code 1rin). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution, PDB code: 1rin:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn240 b:25.0 occ:1.00 O A:HOH252 2.1 21.1 1.0 OD2 A:ASP121 2.1 19.6 1.0 O A:HOH251 2.2 17.7 1.0 OE2 A:GLU119 2.2 17.4 1.0 OD1 A:ASP129 2.3 22.9 1.0 NE2 A:HIS136 2.3 20.0 1.0 CE1 A:HIS136 3.0 16.3 1.0 CG A:ASP121 3.1 20.8 1.0 CD A:GLU119 3.2 13.5 1.0 CG A:ASP129 3.3 20.1 1.0 OE1 A:GLU119 3.4 17.7 1.0 CD2 A:HIS136 3.4 23.5 1.0 CB A:ASP121 3.5 13.3 1.0 OD2 A:ASP129 3.8 18.5 1.0 O A:HOH253 4.0 15.9 1.0 OG A:SER146 4.1 25.2 1.0 OD1 A:ASP121 4.1 24.3 1.0 CA A:CA243 4.2 18.6 1.0 ND1 A:HIS136 4.2 18.0 1.0 CB A:ASP129 4.4 19.0 1.0 CG A:HIS136 4.4 18.8 1.0 CG A:GLU119 4.5 15.7 1.0 CD A:PRO130 4.6 35.0 1.0 O A:ILE144 4.6 26.5 1.0 CD1 A:TRP128 4.7 21.6 1.0 CA A:ASP129 4.7 24.4 1.0 NE1 A:TRP128 4.8 24.2 1.0 O A:HOH286 4.8 10.7 0.6

Manganese binding site 2 out of 2 in the X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn240 b:25.3 occ:1.00 O C:HOH341 2.0 8.7 1.0 OD2 C:ASP121 2.1 14.7 1.0 OE2 C:GLU119 2.2 26.5 1.0 O C:HOH342 2.3 16.6 1.0 NE2 C:HIS136 2.3 23.0 1.0 OD1 C:ASP129 2.3 29.9 1.0 CE1 C:HIS136 3.1 22.9 1.0 CG C:ASP121 3.1 16.6 1.0 CD C:GLU119 3.2 24.5 1.0 CG C:ASP129 3.3 26.4 1.0 CD2 C:HIS136 3.3 22.9 1.0 OE1 C:GLU119 3.5 22.1 1.0 CB C:ASP121 3.6 7.9 1.0 OD2 C:ASP129 3.7 31.1 1.0 O C:HOH343 4.1 27.8 1.0 OG C:SER146 4.2 20.9 1.0 ND1 C:HIS136 4.2 21.3 1.0 CA C:CA243 4.2 20.9 1.0 OD1 C:ASP121 4.2 14.9 1.0 CG C:HIS136 4.3 15.1 1.0 CB C:ASP129 4.4 27.5 1.0 CG C:GLU119 4.5 21.4 1.0 O C:ILE144 4.6 24.0 1.0 O C:HOH371 4.6 33.9 0.6 CD C:PRO130 4.6 32.7 1.0 CD1 C:TRP128 4.7 22.8 1.0 CA C:ASP129 4.7 30.0 1.0 NE1 C:TRP128 4.7 23.1 1.0

J.M.Rini, K.D.Hardman, H.Einspahr, F.L.Suddath, J.P.Carver. X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 A Resolution. J.Biol.Chem. V. 268 10126 1993.
ISSN: ISSN 0021-9258
PubMed: 8486683