Calcium 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:

Manganese

(Mn)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the X-Ray Crystal Structure of A Pea Lectin-Trimannoside Complex at 2.6 Angstroms Resolution, PDB code: 1rin:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca243 b:18.6 occ:1.00 O A:PHE123 2.2 19.5 1.0 OD2 A:ASP129 2.3 18.5 1.0 OD1 A:ASP121 2.3 24.3 1.0 O A:HOH254 2.4 25.7 1.0 O A:HOH253 2.4 15.9 1.0 OD2 A:ASP121 2.4 19.6 1.0 OD1 A:ASN125 2.5 18.7 1.0 CG A:ASP121 2.7 20.8 1.0 CG A:ASP129 3.3 20.1 1.0 C A:PHE123 3.5 18.8 1.0 OD1 A:ASP129 3.6 22.9 1.0 CG A:ASN125 3.6 18.9 1.0 N A:ASN125 4.1 17.2 1.0 MN A:MN240 4.2 25.0 1.0 CB A:ASP121 4.2 13.3 1.0 CA A:PHE123 4.3 15.2 1.0 CB A:ASN125 4.3 18.9 1.0 N A:PHE123 4.3 17.5 1.0 CB A:PHE123 4.4 14.1 1.0 NE1 A:TRP128 4.4 24.2 1.0 O A:HOH252 4.5 21.1 1.0 N A:TYR124 4.5 19.9 1.0 ND2 A:ASN125 4.5 15.7 1.0 O A:GLY99 4.6 18.0 1.0 CA A:TYR124 4.6 18.9 1.0 C A:TYR124 4.6 16.7 1.0 CB A:ASP129 4.7 19.0 1.0 O A:ASP81 4.7 22.4 1.0 CA A:ASN125 4.8 18.8 1.0 OD1 A:ASP81 4.8 13.0 1.0 CD2 A:PHE123 4.9 9.2 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca243 b:20.9 occ:1.00 O C:HOH343 2.3 27.8 1.0 O C:PHE123 2.4 22.7 1.0 O C:HOH344 2.4 10.1 1.0 OD1 C:ASP121 2.4 14.9 1.0 OD2 C:ASP129 2.4 31.1 1.0 OD1 C:ASN125 2.5 25.2 1.0 OD2 C:ASP121 2.5 14.7 1.0 CG C:ASP121 2.8 16.6 1.0 CG C:ASP129 3.5 26.4 1.0 C C:PHE123 3.6 23.4 1.0 CG C:ASN125 3.6 25.8 1.0 OD1 C:ASP129 3.7 29.9 1.0 N C:ASN125 4.1 23.9 1.0 MN C:MN240 4.2 25.3 1.0 CB C:ASN125 4.2 25.6 1.0 CB C:ASP121 4.3 7.9 1.0 N C:PHE123 4.4 21.1 1.0 CA C:PHE123 4.4 19.6 1.0 NE1 C:TRP128 4.4 23.1 1.0 CB C:PHE123 4.5 23.7 1.0 O C:HOH342 4.5 16.6 1.0 O C:GLY99 4.6 19.2 1.0 N C:TYR124 4.6 27.0 1.0 O C:ASP81 4.6 23.0 1.0 ND2 C:ASN125 4.6 30.9 1.0 C C:TYR124 4.7 26.3 1.0 CA C:TYR124 4.7 26.8 1.0 CB C:ASP129 4.8 27.5 1.0 CA C:ASN125 4.8 25.1 1.0 CA C:GLY99 4.8 21.6 1.0 OD1 C:ASP81 4.8 21.9 1.0 CD2 C:PHE123 4.9 22.3 1.0 CE1 C:HIS136 5.0 22.9 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