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Mercury in PDB 1x8l: Crystal Structure of Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap

Protein crystallography data

The structure of Crystal Structure of Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap, PDB code: 1x8l was solved by S.Pakhomova, J.Buck, M.E.Newcomer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 82.506, 67.192, 85.066, 90.00, 111.85, 90.00
R / Rfree (%) 19.6 / 23.1

Other elements in 1x8l:

The structure of Crystal Structure of Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap also contains other interesting chemical elements:

Calcium (Ca) 2 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap (pdb code 1x8l). 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 Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap, PDB code: 1x8l:
Jump to Mercury binding site number: 1; 2;

Mercury binding site 1 out of 2 in 1x8l

Go back to Mercury Binding Sites List in 1x8l
Mercury binding site 1 out of 2 in the Crystal Structure of Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap


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 Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Hg1103

b:47.7
occ:0.50
SG A:CYS318 2.2 26.7 1.0
N A:CYS318 3.2 20.4 1.0
CA A:CYS318 3.3 21.0 1.0
CB A:CYS318 3.3 22.0 1.0
C A:GLY317 3.5 20.8 1.0
O A:ALA316 3.5 22.1 1.0
O A:GLY317 3.8 18.9 1.0
CA A:GLY317 4.2 21.2 1.0
C A:ALA316 4.3 22.3 1.0
N A:GLY317 4.6 21.3 1.0
CB A:LYS315 4.6 23.7 1.0
C A:CYS318 4.8 19.6 1.0

Mercury binding site 2 out of 2 in 1x8l

Go back to Mercury Binding Sites List in 1x8l
Mercury binding site 2 out of 2 in the Crystal Structure of Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap


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 Retinol Dehydratase in Complex with All-Trans-4-Oxoretinol and Inactive Cofactor Pap within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Hg2203

b:45.6
occ:0.50
SG B:CYS318 2.1 26.4 1.0
O B:HOH2357 3.2 41.8 1.0
CB B:CYS318 3.4 19.6 1.0
N B:CYS318 3.4 18.2 1.0
CA B:CYS318 3.4 19.4 1.0
C B:GLY317 3.6 18.8 1.0
O B:ALA316 3.6 20.9 1.0
O B:GLY317 3.8 17.1 1.0
CA B:GLY317 4.3 18.8 1.0
C B:ALA316 4.4 20.9 1.0
N B:GLY317 4.7 20.1 1.0
CB B:LYS315 4.7 24.1 1.0
C B:CYS318 4.9 18.1 1.0

Reference:

S.Pakhomova, J.Buck, M.E.Newcomer. The Structures of the Unique Sulfotransferase Retinol Dehydratase with Product and Inhibitors Provide Insight Into Enzyme Mechanism and Inhibition. Protein Sci. V. 14 176 2005.
ISSN: ISSN 0961-8368
PubMed: 15608121
DOI: 10.1110/PS.041061105
Page generated: Wed Oct 28 18:40:52 2020

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