Mercury in PDB 6egn: Crystal Structure of A Three-Stranded Coiled Coil Peptide Containing A Trigonal Planar Hg(II)S3 Site Modified By D-Leu in the Second Coordination Sphere

The structure of Crystal Structure of A Three-Stranded Coiled Coil Peptide Containing A Trigonal Planar Hg(II)S3 Site Modified By D-Leu in the Second Coordination Sphere, PDB code: 6egn was solved by L.Ruckthong, J.A.Stuckey, V.L.Pecoraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.14 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.636, 80.508, 88.730, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 20.9

The structure of Crystal Structure of A Three-Stranded Coiled Coil Peptide Containing A Trigonal Planar Hg(II)S3 Site Modified By D-Leu in the Second Coordination Sphere also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Zinc	(Zn)	3 atoms

The binding sites of Mercury atom in the Crystal Structure of A Three-Stranded Coiled Coil Peptide Containing A Trigonal Planar Hg(II)S3 Site Modified By D-Leu in the Second Coordination Sphere (pdb code 6egn). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total only one binding site of Mercury was determined in the Crystal Structure of A Three-Stranded Coiled Coil Peptide Containing A Trigonal Planar Hg(II)S3 Site Modified By D-Leu in the Second Coordination Sphere, PDB code: 6egn:

Mercury binding site 1 out of 1 in the Crystal Structure of A Three-Stranded Coiled Coil Peptide Containing A Trigonal Planar Hg(II)S3 Site Modified By D-Leu in the Second Coordination Sphere


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 Three-Stranded Coiled Coil Peptide Containing A Trigonal Planar Hg(II)S3 Site Modified By D-Leu in the Second Coordination Sphere within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg106 b:41.9 occ:0.62 SG B:CYS16 1.4 41.0 0.1 SG A:CYS16 2.4 44.8 0.9 SG C:CYS16 2.4 51.6 1.0 SG B:CYS16 2.5 43.9 0.9 O B:HOH257 2.8 38.5 1.0 CB B:CYS16 2.8 37.4 0.1 SG A:CYS16 3.3 48.2 0.1 CB C:CYS16 3.4 48.1 1.0 CB B:CYS16 3.4 39.8 0.9 CB A:CYS16 3.4 42.4 0.9 CB A:CYS16 3.4 43.7 0.1 O B:HOH233 3.7 55.9 1.0 CA C:CYS16 3.9 47.1 1.0 CA B:CYS16 4.0 39.2 0.9 CA A:CYS16 4.0 43.4 0.9 CA B:CYS16 4.0 37.5 0.1 CA A:CYS16 4.0 43.7 0.1 O B:HOH228 4.2 32.7 0.5 N C:CYS16 4.7 46.5 1.0 N A:CYS16 4.8 44.4 1.0 N B:CYS16 4.9 38.1 1.0

L.Ruckthong, J.A.Stuckey, V.L.Pecoraro. How Outer Coordination Sphere Modifications Can Impact Metal Structures in Proteins: A Crystallographic Evaluation. Chemistry V. 25 6773 2019.
ISSN: ISSN 0947-6539
PubMed: 30861211
DOI: 10.1002/CHEM.201806040