Mercury in PDB 1iub: Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form)

The structure of Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form), PDB code: 1iub was solved by M.Fujihashi, D.H.Peapus, N.Kamiya, Y.Nagata, K.Miki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.97 / 2.31
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	83.909, 83.909, 254.131, 90.00, 90.00, 120.00
R / Rfree (%)	15.6 / 18.3

The structure of Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form) also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Mercury atom in the Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form) (pdb code 1iub). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form), PDB code: 1iub:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg421 b:32.0 occ:1.00 CL A:CL422 2.4 36.5 1.0 SG A:CYS80 2.5 31.9 1.0 O A:GLU56 3.2 36.9 1.0 CB A:CYS80 3.2 17.1 1.0 CB A:ALA57 3.5 21.1 1.0 C A:CYS80 3.6 30.8 1.0 CE1 A:PHE90 3.6 37.6 1.0 CZ A:PHE90 3.8 31.3 1.0 O A:CYS80 3.8 25.8 1.0 CA A:CYS80 3.9 25.5 1.0 N A:VAL81 3.9 23.1 1.0 CA A:ALA57 4.0 28.5 1.0 CB A:SER88 4.0 32.7 1.0 O A:VAL81 4.1 29.9 1.0 C A:GLU56 4.2 31.9 1.0 C A:VAL81 4.2 30.6 1.0 N A:CYS80 4.3 29.3 1.0 CA A:VAL81 4.4 24.2 1.0 O A:HOH594 4.5 53.4 1.0 CD1 A:PHE90 4.5 31.6 1.0 N A:ALA57 4.5 26.6 1.0 OG A:SER88 4.6 39.0 1.0 CE2 A:PHE90 4.7 39.4 1.0 N A:ASN82 4.8 29.2 1.0 O A:SER88 4.9 30.3 1.0 C A:SER88 4.9 28.1 1.0 CA A:SER88 4.9 27.9 1.0

Mercury binding site 2 out of 2 in the Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form)


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Fucose-Specific Lectin From Aleuria Aurantia (Hg-Derivative Form) within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg431 b:54.3 occ:1.00 SG A:CYS193 2.5 46.2 1.0 OH A:TYR200 2.9 44.8 1.0 O A:HOH592 3.2 64.6 1.0 CB A:CYS193 3.2 40.1 1.0 NH2 A:ARG179 3.3 49.3 1.0 NE A:ARG179 3.4 49.8 1.0 CZ A:ARG179 3.5 54.3 1.0 CZ A:TYR200 3.6 46.4 1.0 CE1 A:TYR200 3.6 44.9 1.0 O A:HOH580 3.8 44.1 1.0 CA A:GLY202 4.0 36.9 1.0 O A:HOH528 4.1 43.7 1.0 OE1 A:GLU191 4.3 37.8 1.0 OD1 A:ASP195 4.4 56.8 1.0 CD A:ARG179 4.4 44.6 1.0 NH1 A:ARG179 4.5 41.3 1.0 CD A:GLU191 4.6 35.0 1.0 CA A:CYS193 4.7 40.9 1.0 CE2 A:TYR200 4.7 43.1 1.0 CD1 A:TYR200 4.8 44.0 1.0 OE2 A:GLU191 4.9 37.0 1.0 N A:GLY203 4.9 43.5 1.0 N A:GLY202 5.0 44.6 1.0

M.Fujihashi, D.H.Peapus, N.Kamiya, Y.Nagata, K.Miki. Crystal Structure of Fucose-Specific Lectin From Aleuria Aurantia Binding Ligands at Three of Its Five Sugar Recognition Sites Biochemistry V. 42 11093 2003.
ISSN: ISSN 0006-2960
PubMed: 14503859
DOI: 10.1021/BI034983Z