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

Protein crystallography data

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

Mercury Binding Sites:

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 1m3w

Go back to Mercury Binding Sites List in 1m3w
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 1m3w

Go back to Mercury Binding Sites List in 1m3w
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

Reference:

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
Page generated: Sun Dec 13 19:03:58 2020

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