Manganese 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:

Calcium

(Ca)

2 atoms

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese where determined in the The Xenograft Antigen in Complex with the B4 Isolectin of Griffonia Simplicifolia Lectin-1, PDB code: 1hql:
Jump to Manganese binding site number: 1; 2;

Manganese 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 Manganese with other atoms in the Mn 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:Mn301 b:43.1 occ:1.00 O A:HOH509 2.2 28.9 1.0 OE2 A:GLU128 2.2 31.9 1.0 OE1 A:GLU139 2.2 39.6 1.0 O A:HOH508 2.2 29.7 1.0 NE2 A:HIS144 2.3 35.0 1.0 OD2 A:ASP130 2.3 32.4 1.0 CE1 A:HIS144 3.0 33.2 1.0 CD A:GLU128 3.2 31.2 1.0 CG A:ASP130 3.2 32.9 1.0 CD A:GLU139 3.3 42.3 1.0 CD2 A:HIS144 3.4 34.2 1.0 CB A:ASP130 3.5 32.3 1.0 OE1 A:GLU128 3.5 33.5 1.0 O A:HOH506 3.8 32.9 1.0 OE2 A:GLU139 3.9 40.2 1.0 CA A:CA302 4.0 35.3 1.0 ND1 A:HIS144 4.2 33.2 1.0 CB A:GLU139 4.2 43.5 1.0 CG A:GLU139 4.3 42.7 1.0 OG A:SER154 4.3 27.4 1.0 OD1 A:ASP130 4.3 31.1 1.0 CG A:HIS144 4.4 34.5 1.0 O A:ILE152 4.5 33.2 1.0 O A:HOH507 4.5 31.2 1.0 CG A:GLU128 4.6 29.6 1.0 CE1 A:PHE137 4.9 36.4 1.0 CA A:ASP130 5.0 33.2 1.0

Manganese 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 Manganese with other atoms in the Mn 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:Mn301 b:38.7 occ:1.00 O B:HOH509 2.1 27.7 1.0 O B:HOH508 2.1 32.6 1.0 OE2 B:GLU128 2.2 29.5 1.0 OD2 B:ASP130 2.2 26.0 1.0 OE1 B:GLU139 2.2 35.9 1.0 NE2 B:HIS144 2.3 30.9 1.0 CE1 B:HIS144 3.1 32.1 1.0 CD B:GLU128 3.1 29.6 1.0 CG B:ASP130 3.2 25.0 1.0 CD B:GLU139 3.3 40.2 1.0 OE1 B:GLU128 3.3 26.8 1.0 CD2 B:HIS144 3.4 29.1 1.0 CB B:ASP130 3.5 27.6 1.0 O B:HOH513 3.8 23.7 1.0 OE2 B:GLU139 3.8 39.4 1.0 CA B:CA302 4.1 31.8 1.0 ND1 B:HIS144 4.2 29.9 1.0 CB B:GLU139 4.3 42.2 1.0 OG B:SER154 4.3 29.4 1.0 OD1 B:ASP130 4.3 28.5 1.0 CG B:GLU139 4.4 38.8 1.0 CG B:HIS144 4.4 30.8 1.0 O B:HOH507 4.5 30.2 1.0 CG B:GLU128 4.5 28.7 1.0 O B:ILE152 4.5 30.4 1.0 CE1 B:PHE137 4.9 39.1 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