Calcium in PDB 1hql: The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1

The structure of The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1, PDB code: 1hql was solved by W.Tempel, L.A.Lipscomb, J.P.Rose, R.J.Woods, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	111.210, 51.280, 77.110, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 25.4

The structure of The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1 also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Calcium atom in the The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1 (pdb code 1hql). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1, PDB code: 1hql:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca302 b:35.3 occ:1.00 OD2 A:ASP130 2.2 32.4 1.0 O A:TRP132 2.3 38.5 1.0 OD1 A:ASN134 2.4 42.6 1.0 O A:HOH504 2.4 34.2 1.0 OD1 A:ASP130 2.4 31.1 1.0 O A:HOH506 2.5 32.9 1.0 OE2 A:GLU139 2.6 40.2 1.0 CG A:ASP130 2.6 32.9 1.0 CD A:GLU139 3.4 42.3 1.0 OE1 A:GLU139 3.5 39.6 1.0 C A:TRP132 3.5 39.2 1.0 CG A:ASN134 3.5 41.0 1.0 MN A:MN301 4.0 43.1 1.0 N A:ASN134 4.1 42.9 1.0 CB A:ASP130 4.1 32.3 1.0 CB A:ASN134 4.2 43.0 1.0 O A:HOH508 4.2 29.7 1.0 CA A:TRP132 4.4 37.4 1.0 N A:THR133 4.4 40.3 1.0 CA A:THR133 4.5 42.9 1.0 N A:TRP132 4.5 35.5 1.0 ND2 A:ASN134 4.6 37.3 1.0 C A:THR133 4.6 42.7 1.0 CB A:GLU106 4.6 33.6 1.0 CB A:TRP132 4.6 36.4 1.0 CZ A:PHE137 4.7 37.2 1.0 OD1 A:ASP88 4.7 32.9 1.0 CE1 A:HIS144 4.8 33.2 1.0 CD1 A:TRP132 4.8 39.3 1.0 CA A:ASN134 4.8 43.8 1.0 O A:GLU106 4.8 30.1 1.0 CG A:GLU139 4.9 42.7 1.0 CA A:GLU106 4.9 32.5 1.0

Calcium binding site 2 out of 2 in the The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca302 b:31.8 occ:1.00 O B:TRP132 2.2 34.2 1.0 OD2 B:ASP130 2.4 26.0 1.0 OD1 B:ASN134 2.4 41.2 1.0 O B:HOH513 2.4 23.7 1.0 O B:HOH504 2.5 31.6 1.0 OD1 B:ASP130 2.5 28.5 1.0 OE2 B:GLU139 2.6 39.4 1.0 CG B:ASP130 2.8 25.0 1.0 C B:TRP132 3.5 36.5 1.0 CD B:GLU139 3.5 40.2 1.0 CG B:ASN134 3.5 41.2 1.0 OE1 B:GLU139 3.6 35.9 1.0 MN B:MN301 4.1 38.7 1.0 N B:ASN134 4.1 41.7 1.0 CB B:ASN134 4.3 40.5 1.0 CB B:ASP130 4.3 27.6 1.0 CA B:TRP132 4.4 35.9 1.0 N B:THR133 4.4 38.7 1.0 N B:TRP132 4.5 34.5 1.0 CA B:THR133 4.5 41.8 1.0 O B:HOH508 4.5 32.6 1.0 ND2 B:ASN134 4.6 34.9 1.0 CB B:TRP132 4.6 35.2 1.0 C B:THR133 4.6 41.9 1.0 CB B:GLU106 4.6 32.4 1.0 OD1 B:ASP88 4.6 26.7 1.0 CD1 B:TRP132 4.7 37.3 1.0 CZ B:PHE137 4.7 37.3 1.0 CE1 B:HIS144 4.8 32.1 1.0 CA B:ASN134 4.9 42.8 1.0 CA B:GLU106 4.9 31.5 1.0 CG B:GLU139 4.9 38.8 1.0 O B:GLU106 5.0 30.4 1.0

W.Tempel, S.Tschampel, R.J.Woods. The Xenograft Antigen Bound to Griffonia Simplicifolia Lectin 1-B(4). X-Ray Crystal Structure of the Complex and Molecular Dynamics Characterization of the Binding Site. J.Biol.Chem. V. 277 6615 2002.
ISSN: ISSN 0021-9258
PubMed: 11714721
DOI: 10.1074/JBC.M109919200