Calcium in PDB 6li7: Crystal Structure of Lectin From Pleurotus Ostreatus in Complex with Galnac

The structure of Crystal Structure of Lectin From Pleurotus Ostreatus in Complex with Galnac, PDB code: 6li7 was solved by S.Vajravijayan, S.Pletnev, Z.Luo, T.Ankur, K.Gunasekaran, N.Nandhagopal, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.64 / 2.10
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	152.273, 152.273, 145.975, 90.00, 90.00, 120.00
R / Rfree (%)	19.3 / 20.6

The binding sites of Calcium atom in the Crystal Structure of Lectin From Pleurotus Ostreatus in Complex with Galnac (pdb code 6li7). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Lectin From Pleurotus Ostreatus in Complex with Galnac, PDB code: 6li7:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Lectin From Pleurotus Ostreatus in Complex with Galnac


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 Lectin From Pleurotus Ostreatus in Complex with Galnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca407 b:29.6 occ:1.00 O A:PRO305 2.2 25.1 1.0 OD2 A:ASP260 2.3 26.4 1.0 O3 A:NGA411 2.3 36.1 1.0 OD1 A:ASP259 2.3 27.4 1.0 O A:GLY303 2.4 36.9 1.0 O4 A:NGA411 2.4 27.6 1.0 OD1 A:ASN301 2.5 28.4 1.0 CG A:ASP259 3.2 29.4 1.0 CG A:ASP260 3.2 28.6 1.0 C3 A:NGA411 3.4 36.2 1.0 C4 A:NGA411 3.4 33.3 1.0 C A:GLY303 3.5 39.5 1.0 C A:PRO305 3.5 27.5 1.0 OD2 A:ASP259 3.5 29.4 1.0 CG A:ASN301 3.6 32.0 1.0 OD1 A:ASP260 3.6 31.2 1.0 C2 A:NGA411 4.0 42.1 1.0 C A:GLY304 4.0 35.6 1.0 N A:GLY303 4.1 40.3 1.0 N A:PRO305 4.1 33.8 1.0 O A:GLY304 4.2 33.1 1.0 ND2 A:ASN301 4.3 28.4 1.0 C A:ASP259 4.3 26.1 1.0 N A:GLY304 4.4 36.5 1.0 CA A:GLY303 4.4 41.8 1.0 O A:ASP259 4.4 26.0 1.0 CA A:PRO305 4.4 29.9 1.0 N A:ALA306 4.5 29.8 1.0 CB A:ASP260 4.5 29.9 1.0 N A:GLY302 4.5 38.4 1.0 CB A:ASP259 4.5 27.7 1.0 O A:HOH654 4.5 47.0 1.0 CA A:ALA306 4.5 30.7 1.0 CA A:GLY304 4.5 40.8 1.0 CD A:PRO305 4.7 37.3 1.0 CB A:ASN301 4.7 33.3 1.0 CA A:ASN301 4.8 31.6 1.0 C5 A:NGA411 4.8 38.0 1.0 N2 A:NGA411 4.8 41.3 1.0 N A:ASP260 4.8 27.8 1.0 CB A:ALA306 4.8 31.6 1.0 CA A:ASP260 4.9 27.8 1.0 CA A:ASP259 4.9 26.0 1.0 C A:GLY302 5.0 44.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Lectin From Pleurotus Ostreatus in Complex with Galnac


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 Lectin From Pleurotus Ostreatus in Complex with Galnac within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca408 b:26.7 occ:1.00 OD1 A:ASP97 2.3 27.1 1.0 OD1 A:ASN138 2.3 28.2 1.0 O A:PRO144 2.4 21.9 1.0 O2 A:GOL410 2.4 28.5 1.0 O3 A:GOL410 2.5 30.8 1.0 OG A:SER143 2.5 24.9 1.0 OD2 A:ASP98 2.6 29.5 1.0 CG A:ASP97 3.2 26.7 1.0 C2 A:GOL410 3.3 33.5 1.0 CG A:ASP98 3.4 29.9 1.0 C3 A:GOL410 3.4 34.0 1.0 CG A:ASN138 3.5 25.8 1.0 CB A:SER143 3.6 26.0 1.0 OD2 A:ASP97 3.6 30.0 1.0 OD1 A:ASP98 3.6 29.1 1.0 C A:PRO144 3.6 28.3 1.0 C A:SER143 4.1 26.5 1.0 N A:PRO144 4.2 25.8 1.0 ND2 A:ASN138 4.3 27.6 1.0 O A:SER143 4.3 24.9 1.0 C A:ASP97 4.4 28.0 1.0 O A:ASP97 4.4 26.6 1.0 O A:VAL140 4.4 36.5 1.0 CA A:SER143 4.5 25.6 1.0 N A:ASP98 4.5 28.1 1.0 CA A:PRO144 4.5 28.1 1.0 CB A:ASP97 4.5 26.8 1.0 N A:ALA145 4.5 25.3 1.0 N A:VAL140 4.5 30.7 1.0 N A:LEU139 4.6 31.3 1.0 CB A:ASN138 4.6 26.2 1.0 CA A:ALA145 4.6 25.4 1.0 CA A:ASN138 4.6 28.4 1.0 CB A:ASP98 4.6 27.5 1.0 CB A:VAL140 4.7 32.8 1.0 C1 A:GOL410 4.7 37.1 1.0 CD A:PRO144 4.8 26.2 1.0 CA A:ASP97 4.9 27.0 1.0 CA A:ASP98 4.9 27.5 1.0

S.Vajravijayan, S.Pletnev, Z.Luo, V.Z.Pletnev, N.Nandhagopal, K.Gunasekaran. Crystallographic and Calorimetric Analysis on Pleurotus Ostreatus Lectin and Its Sugar Complexes - Promiscuous Binding Driven By Geometry. Int.J.Biol.Macromol. V. 152 862 2020.
ISSN: ISSN 0141-8130
PubMed: 32112837
DOI: 10.1016/J.IJBIOMAC.2020.02.294