Mercury in PDB 1m3w: Crystal Structure of A Molecular Maquette Scaffold

The structure of Crystal Structure of A Molecular Maquette Scaffold, PDB code: 1m3w was solved by S.S.Huang, B.R.Gibney, S.E.Stayrook, P.L.Dutton, M.Lewis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.99 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	26.900, 48.800, 46.700, 90.00, 104.70, 90.00
R / Rfree (%)	23.4 / 27.8

The binding sites of Mercury atom in the Crystal Structure of A Molecular Maquette Scaffold (pdb code 1m3w). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Crystal Structure of A Molecular Maquette Scaffold, PDB code: 1m3w:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in the Crystal Structure of A Molecular Maquette Scaffold


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Crystal Structure of A Molecular Maquette Scaffold within 5.0Å range: probe atom residue distance (Å) B Occ C:Hg41 b:37.4 occ:0.34 CE1 C:HIS24 2.5 32.0 1.0 ND1 C:HIS24 2.5 28.2 1.0 NE2 D:HIS24 2.8 25.2 1.0 CD2 D:HIS24 3.4 31.5 1.0 NE2 C:HIS24 3.7 30.2 1.0 CG C:HIS24 3.7 26.7 1.0 CE1 D:HIS24 4.0 33.8 1.0 CD2 C:HIS24 4.3 31.0 1.0 CD1 D:LEU28 4.3 35.2 1.0 CB C:HIS24 4.6 32.2 1.0 CG D:HIS24 4.7 25.8 1.0 CE1 B:PHE17 4.7 41.6 1.0 CD2 A:HIS10 4.9 29.1 1.0 CD2 B:LEU14 4.9 24.9 1.0 ND1 D:HIS24 4.9 25.9 1.0

Mercury binding site 2 out of 2 in the Crystal Structure of A Molecular Maquette Scaffold


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Crystal Structure of A Molecular Maquette Scaffold within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg41 b:24.5 occ:0.25 CE1 A:HIS24 2.5 28.0 1.0 ND1 A:HIS24 2.6 26.1 1.0 NE2 B:HIS24 3.0 23.1 1.0 CD2 B:HIS24 3.5 30.0 1.0 NE2 A:HIS24 3.7 28.3 1.0 CG A:HIS24 3.9 26.3 1.0 CD1 B:LEU28 4.1 36.0 1.0 CE1 B:HIS24 4.2 31.7 1.0 CD2 A:HIS24 4.4 29.9 1.0 CD2 C:HIS10 4.7 30.2 1.0 CD2 D:LEU14 4.8 26.8 1.0 CG B:HIS24 4.8 25.6 1.0 CE1 D:PHE17 4.9 45.4 1.0 NE2 C:HIS10 4.9 28.4 1.0 CB A:HIS24 4.9 30.0 1.0

S.S.Huang, B.R.Gibney, S.E.Stayrook, P.L.Dutton, M.Lewis. X-Ray Structure of A Maquette Scaffold J.Mol.Biol. V. 326 1219 2003.
ISSN: ISSN 0022-2836
PubMed: 12589764
DOI: 10.1016/S0022-2836(02)01441-9