Calcium in PDB 2dva: Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex

The structure of Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex, PDB code: 2dva was solved by S.K.Natchiar, O.Srinivas, N.Mitra, A.Surolia, N.Jayaraman, M.Vijayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.94 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	126.590, 124.620, 75.780, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 25

The structure of Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex (pdb code 2dva). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex, PDB code: 2dva:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca237 b:32.6 occ:1.00 O A:TYR125 2.5 33.9 1.0 OD1 A:ASN127 2.6 28.8 1.0 O A:HOH378 2.6 29.2 1.0 OD2 A:ASP132 2.6 31.3 1.0 OD1 A:ASP123 2.6 35.7 1.0 O A:HOH379 2.7 28.0 1.0 OD2 A:ASP123 2.7 32.7 1.0 CG A:ASP123 3.0 32.2 1.0 CG A:ASN127 3.5 29.9 1.0 CG A:ASP132 3.5 32.4 1.0 C A:TYR125 3.7 33.1 1.0 N A:ASN127 3.9 30.7 1.0 OD1 A:ASP132 4.0 29.5 1.0 CB A:ASN127 4.0 28.6 1.0 MN A:MN238 4.2 42.1 1.0 O A:HOH380 4.3 27.2 1.0 CA A:GLY104 4.4 26.3 1.0 CB A:ASP123 4.4 30.9 1.0 CA A:TYR125 4.5 32.5 1.0 N A:TYR125 4.5 32.4 1.0 CA A:ASN127 4.6 31.7 1.0 CB A:TYR125 4.6 32.2 1.0 N A:SER126 4.6 30.7 1.0 ND2 A:ASN127 4.6 28.0 1.0 CD1 A:TYR125 4.6 30.7 1.0 OD1 A:ASP83 4.7 31.0 1.0 O A:GLY104 4.7 26.8 1.0 CA A:SER126 4.7 31.2 1.0 CB A:ASP132 4.7 33.7 1.0 C A:SER126 4.7 32.0 1.0 O A:ASP83 4.9 26.3 1.0 CE1 A:HIS137 5.0 24.4 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca237 b:29.3 occ:1.00 O B:TYR125 2.5 29.4 1.0 OD1 B:ASN127 2.6 26.2 1.0 OD2 B:ASP132 2.6 28.4 1.0 OD1 B:ASP123 2.6 30.7 1.0 OD2 B:ASP123 2.7 28.2 1.0 O B:HOH2404 2.7 26.9 1.0 O B:HOH2405 2.7 28.6 1.0 CG B:ASP123 3.0 30.2 1.0 C B:TYR125 3.6 29.4 1.0 CG B:ASN127 3.6 27.3 1.0 CG B:ASP132 3.6 28.5 1.0 N B:ASN127 4.0 28.2 1.0 CB B:ASN127 4.1 28.4 1.0 OD1 B:ASP132 4.1 27.0 1.0 MN B:MN238 4.3 39.4 1.0 CA B:TYR125 4.4 30.8 1.0 N B:TYR125 4.4 30.9 1.0 O B:HOH2406 4.4 26.8 1.0 CB B:ASP123 4.4 29.8 1.0 CA B:GLY104 4.4 26.5 1.0 CB B:TYR125 4.5 30.6 1.0 N B:SER126 4.6 29.0 1.0 CD1 B:TYR125 4.6 29.2 1.0 CA B:ASN127 4.7 29.2 1.0 CA B:SER126 4.7 29.5 1.0 OD1 B:ASP83 4.7 20.2 1.0 CB B:ASP132 4.7 28.1 1.0 C B:SER126 4.7 30.5 1.0 ND2 B:ASN127 4.8 27.4 1.0 O B:ASP83 4.8 24.8 1.0 O B:GLY104 4.8 27.8 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Ca237 b:38.9 occ:1.00 O C:HOH1472 2.3 20.0 1.0 OD2 C:ASP132 2.5 31.9 1.0 O C:TYR125 2.5 39.5 1.0 OD1 C:ASN127 2.6 36.2 1.0 O C:HOH1339 2.7 35.5 1.0 OD1 C:ASP123 2.7 35.7 1.0 OD2 C:ASP123 2.8 35.0 1.0 CG C:ASP123 3.1 34.8 1.0 CG C:ASN127 3.6 37.4 1.0 CG C:ASP132 3.6 34.1 1.0 C C:TYR125 3.7 38.9 1.0 N C:ASN127 3.9 38.5 1.0 CB C:ASN127 4.0 37.1 1.0 OD1 C:ASP132 4.1 33.7 1.0 MN C:MN238 4.2 46.8 1.0 CA C:GLY104 4.4 37.1 1.0 O C:HOH1340 4.4 34.5 1.0 CA C:TYR125 4.5 39.7 1.0 CB C:ASP123 4.6 35.5 1.0 N C:SER126 4.6 38.7 1.0 CA C:ASN127 4.6 37.4 1.0 CA C:SER126 4.6 38.3 1.0 N C:TYR125 4.6 39.1 1.0 CB C:TYR125 4.6 40.8 1.0 ND2 C:ASN127 4.7 34.8 1.0 C C:SER126 4.7 39.9 1.0 CD1 C:TYR125 4.7 43.1 1.0 O C:GLY104 4.7 36.1 1.0 CB C:ASP132 4.7 36.3 1.0 OD1 C:ASP83 4.7 36.1 1.0 CE1 C:HIS137 5.0 33.3 1.0

Calcium binding site 4 out of 4 in the Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Peanut Lectin Gal-Beta-1,3-Galnac- Alpha-O-Me (Methyl-T-Antigen) Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Ca237 b:35.0 occ:1.00 O D:TYR125 2.5 34.5 1.0 OD2 D:ASP123 2.6 28.8 1.0 OD1 D:ASN127 2.6 29.5 1.0 O D:HOH314 2.6 33.4 1.0 OD1 D:ASP123 2.6 28.0 1.0 O D:HOH313 2.7 33.6 1.0 OD2 D:ASP132 2.7 40.7 1.0 CG D:ASP123 3.0 28.4 1.0 CG D:ASP132 3.5 38.8 1.0 CG D:ASN127 3.6 30.9 1.0 C D:TYR125 3.7 34.3 1.0 N D:ASN127 3.9 33.0 1.0 OD1 D:ASP132 3.9 38.7 1.0 CB D:ASN127 4.0 33.1 1.0 MN D:MN238 4.2 44.5 1.0 O D:HOH312 4.2 29.2 1.0 CB D:ASP123 4.4 30.2 1.0 CA D:GLY104 4.5 29.8 1.0 CA D:TYR125 4.5 33.3 1.0 N D:TYR125 4.5 31.7 1.0 N D:SER126 4.6 34.0 1.0 CB D:TYR125 4.6 33.8 1.0 CA D:ASN127 4.6 32.6 1.0 CB D:ASP132 4.7 37.4 1.0 CA D:SER126 4.7 32.8 1.0 CD1 D:TYR125 4.7 36.6 1.0 OD1 D:ASP83 4.7 29.6 1.0 ND2 D:ASN127 4.7 31.0 1.0 C D:SER126 4.7 33.7 1.0 O D:GLY104 4.8 26.4 1.0 O D:ASP83 4.8 29.1 1.0

S.K.Natchiar, O.Srinivas, N.Mitra, A.Surolia, N.Jayaraman, M.Vijayan. Structural Studies on Peanut Lectin Complexed with Disaccharides Involving Different Linkages: Further Insights Into the Structure and Interactions of the Lectin Acta Crystallogr.,Sect.D V. 62 1413 2006.
ISSN: ISSN 0907-4449
PubMed: 17057347
DOI: 10.1107/S0907444906035712