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Mercury in PDB 1ht3: Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution

Enzymatic activity of Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution

All present enzymatic activity of Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution:
3.4.21.64;

Protein crystallography data

The structure of Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution, PDB code: 1ht3 was solved by S.Gourinath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.360, 68.360, 108.700, 90.00, 90.00, 90.00
R / Rfree (%) 16.4 / 22.1

Other elements in 1ht3:

The structure of Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution also contains other interesting chemical elements:

Calcium (Ca) 1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution (pdb code 1ht3). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 2 binding sites of Mercury where determined in the Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution, PDB code: 1ht3:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 1ht3

Go back to Mercury Binding Sites List in 1ht3
Mercury binding site 1 out of 2 in the Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg280

b:7.1
occ:0.60
ND1 A:HIS72 2.3 9.0 1.0
SG A:CYS73 2.6 14.2 1.0
O A:HOH523 2.6 19.8 1.0
SD A:MET225 3.1 17.7 1.0
N A:CYS73 3.1 8.3 1.0
CG A:HIS72 3.3 10.5 1.0
CA A:CYS73 3.3 9.4 1.0
CE1 A:HIS72 3.4 4.9 1.0
C A:HIS72 3.4 5.8 1.0
CB A:HIS72 3.4 7.5 1.0
CE A:MET225 3.5 15.2 1.0
CB A:CYS73 3.5 11.2 1.0
O A:HIS72 3.8 5.2 1.0
CA A:HIS72 4.0 6.0 1.0
HG A:HG281 4.1 7.1 0.4
O A:HIS69 4.1 9.2 1.0
CA A:MET225 4.3 11.0 1.0
CG A:MET225 4.4 14.6 1.0
CB A:MET225 4.4 10.7 1.0
CD2 A:HIS72 4.4 9.0 1.0
NE2 A:HIS72 4.4 9.1 1.0
OG1 A:THR76 4.7 9.2 1.0
C A:CYS73 4.7 7.5 1.0
CG A:PRO228 4.8 5.5 1.0
O A:SER224 4.8 12.7 1.0
N A:MET225 5.0 12.0 1.0

Mercury binding site 2 out of 2 in 1ht3

Go back to Mercury Binding Sites List in 1ht3
Mercury binding site 2 out of 2 in the Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease: Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg281

b:7.1
occ:0.40
SG A:CYS73 2.5 14.2 1.0
ND1 A:HIS69 2.5 24.8 1.0
CE1 A:HIS69 2.6 29.1 1.0
O A:HIS69 2.8 9.2 1.0
OD2 A:ASP39 2.8 10.8 1.0
CG A:HIS69 2.9 19.8 1.0
NE2 A:HIS69 2.9 28.8 1.0
CD2 A:HIS69 3.1 26.7 1.0
CB A:CYS73 3.2 11.2 1.0
C A:HIS69 3.3 9.3 1.0
CG A:ASP39 3.5 9.2 1.0
OD1 A:ASP39 3.6 8.4 1.0
CB A:HIS69 3.8 17.8 1.0
CB A:SER132 3.8 8.6 1.0
N A:GLY70 3.9 8.3 1.0
CA A:HIS69 3.9 9.9 1.0
HG A:HG280 4.1 7.1 0.6
CA A:GLY70 4.2 7.0 1.0
N A:CYS73 4.3 8.3 1.0
CE A:MET225 4.3 15.2 1.0
CA A:CYS73 4.3 9.4 1.0
OG A:SER132 4.4 11.8 1.0
O A:SER132 4.6 13.8 1.0
O A:HOH527 4.6 14.0 1.0
CB A:ASP39 4.9 7.2 1.0
C A:GLY70 5.0 6.8 1.0

Reference:

S.Gourinath, M.Degenhardt, S.Eschenburg, K.Moore, L.J.Delucas, C.H.Betzel, T.P.Singh. Mercury Induced Modifications in the Stereochemistry of the Active Site Through Cys-73 in A Serine Protease--Crystal Structure of the Complex of A Partially Modified Proteinase K with Mercury at 1.8 A Resolution Indian J.Biochem.Biophys. V. 38 298 2001.
ISSN: ISSN 0301-1208
PubMed: 11886076
Page generated: Sun Dec 13 19:03:03 2020

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