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Mercury in PDB 4k7m: Crystal Structure of Rnase S Variant (K7C/Q11C) with Bound Mercury Ions

Enzymatic activity of Crystal Structure of Rnase S Variant (K7C/Q11C) with Bound Mercury Ions

All present enzymatic activity of Crystal Structure of Rnase S Variant (K7C/Q11C) with Bound Mercury Ions:
3.1.27.5;

Protein crystallography data

The structure of Crystal Structure of Rnase S Variant (K7C/Q11C) with Bound Mercury Ions, PDB code: 4k7m was solved by M.Genz, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.93 / 1.80
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 43.870, 43.870, 96.361, 90.00, 90.00, 120.00
R / Rfree (%) 16.5 / 20.5

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Rnase S Variant (K7C/Q11C) with Bound Mercury Ions (pdb code 4k7m). 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 Rnase S Variant (K7C/Q11C) with Bound Mercury Ions, PDB code: 4k7m:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 4k7m

Go back to Mercury Binding Sites List in 4k7m
Mercury binding site 1 out of 2 in the Crystal Structure of Rnase S Variant (K7C/Q11C) with Bound Mercury Ions


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 Rnase S Variant (K7C/Q11C) with Bound Mercury Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg201

b:20.0
occ:0.85
SG A:CYS11 2.2 21.8 1.0
SG A:CYS7 2.3 23.4 1.0
O A:CYS7 2.8 14.8 1.0
C A:CYS7 3.2 15.8 1.0
CB A:CYS11 3.3 17.6 1.0
CB A:CYS7 3.3 19.7 1.0
NH2 A:ARG10 3.4 21.6 1.0
CA A:CYS7 3.4 16.3 1.0
HG A:HG202 3.6 27.6 0.1
CZ A:ARG10 3.9 19.9 1.0
N A:PHE8 4.2 15.3 1.0
N A:CYS11 4.2 15.4 1.0
O1 A:SO4203 4.3 55.9 0.8
NH1 A:ARG10 4.3 20.3 1.0
CA A:CYS11 4.3 15.3 1.0
NE A:ARG10 4.6 17.6 1.0
CA A:PHE8 4.8 14.4 1.0
OE1 A:GLU2 4.8 20.9 1.0
N A:CYS7 4.9 17.6 1.0
O A:HOH324 5.0 22.0 1.0

Mercury binding site 2 out of 2 in 4k7m

Go back to Mercury Binding Sites List in 4k7m
Mercury binding site 2 out of 2 in the Crystal Structure of Rnase S Variant (K7C/Q11C) with Bound Mercury Ions


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 Rnase S Variant (K7C/Q11C) with Bound Mercury Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg202

b:27.6
occ:0.10
SG A:CYS7 2.2 23.4 1.0
O A:HOH324 2.6 22.0 1.0
CB A:CYS7 3.2 19.7 1.0
HG A:HG201 3.6 20.0 0.8
O1 A:SO4203 3.7 55.9 0.8
O2 A:SO4203 3.8 44.5 0.8
S A:SO4203 4.3 49.0 0.8
CA A:CYS7 4.5 16.3 1.0
C A:CYS7 4.6 15.8 1.0
N A:PHE8 4.8 15.3 1.0
O A:VAL118 4.8 20.0 1.0
O A:HOH347 4.9 27.2 1.0
O A:ALA4 4.9 18.1 1.0
O3 A:SO4203 5.0 57.1 0.8

Reference:

M.Genz, D.Singer, E.Hey-Hawkins, R.Hoffmann, N.Straeter. Crystal Structure of Apo- and Metalated Thiolate Containing Rnase S As Structural Basis For the Design of Artificial Metalloenzymes By Peptide- Protein Complementation Z.Anorg.Allg.Chem. V. 639 2395 2013.
DOI: 10.1002/ZAAC.201300410
Page generated: Sun Dec 13 19:11:19 2020

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