Mercury in PDB 1j99: Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate

Enzymatic activity of Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate

All present enzymatic activity of Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate:
2.8.2.2;

Protein crystallography data

The structure of Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate, PDB code: 1j99 was solved by P.H.Rehse, M.Zhou, S.-X.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	38.00 / 1.99
*Space group*	P 2₁ 2₁ 2
*Cell size a, b, c (Å), α, β, γ (°)*	77.931, 137.976, 45.864, 90.00, 90.00, 90.00
*R / R_free (%)*	23.1 / 26.2

Other elements in 1j99:

The structure of Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate also contains other interesting chemical elements:

Iodine

(I)

7 atoms

Mercury Binding Sites:

The binding sites of Mercury atom in the Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate (pdb code 1j99). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 3 binding sites of Mercury where determined in the Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate, PDB code: 1j99:
Jump to Mercury binding site number: 1; 2; 3;

Mercury binding site 1 out of 3 in 1j99

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Mercury Binding Sites List in 1j99

Mercury binding site 1 out of 3 in the Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate

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 Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg301 b:91.4 occ:1.00	HG	A:HGI301	0.0	91.4	1.0
	SG	A:CYS55	2.3	64.2	1.0
	I1	A:HGI301	2.5	80.3	1.0
	I2	A:HGI301	2.7	76.2	1.0
	CB	A:CYS55	3.4	33.7	1.0
	O	A:HOH534	3.5	58.0	1.0
	CA	A:CYS55	4.0	40.2	1.0
	O	A:CYS55	4.4	35.0	1.0
	CB	A:TRP65	4.5	59.2	1.0
	O	A:HOH607	4.5	56.1	1.0
	O	A:HOH510	4.6	60.4	1.0
	C	A:CYS55	4.6	34.2	1.0
	CB	A:ARG74	4.7	47.2	1.0
	CD	A:ARG74	4.8	44.6	1.0
	CG	A:TRP65	4.9	70.9	1.0

Mercury binding site 2 out of 3 in 1j99

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Mercury Binding Sites List in 1j99

Mercury binding site 2 out of 3 in the Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate

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 Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg302 b:0.8 occ:1.00	HG	A:HGI302	0.0	0.8	1.0
	SG	A:CYS154	2.3	40.1	1.0
	I2	A:HGI302	2.4	43.8	1.0
	I1	A:HGI302	2.5	79.4	1.0
	CB	A:CYS154	3.2	43.8	1.0
	CE1	A:PHE150	3.5	43.2	1.0
	CD2	A:LEU269	4.0	38.7	1.0
	CD1	A:PHE150	4.1	30.2	1.0
	CZ	A:PHE150	4.4	29.1	1.0
	O	A:PHE150	4.7	30.8	1.0
	CA	A:CYS154	4.7	31.2	1.0

Mercury binding site 3 out of 3 in 1j99

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Mercury Binding Sites List in 1j99

Mercury binding site 3 out of 3 in the Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Crystal Structure of Human Dehydroepiandrosterone Sulfotransferase in Complex with Substrate within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg303 b:64.5 occ:1.00	HG	A:HGI303	0.0	64.5	1.0
	SG	A:CYS199	2.3	83.5	1.0
	I1	A:HGI303	2.6	53.3	1.0
	I2	A:HGI303	2.6	70.9	0.5
	O	A:LYS204	2.6	58.4	1.0
	NE2	A:GLN200	3.2	76.6	1.0
	CB	A:CYS199	3.2	30.3	1.0
	O	A:CYS199	3.3	33.6	1.0
	C	A:CYS199	3.5	30.1	1.0
	C	A:LYS204	3.8	55.5	1.0
	CA	A:CYS199	4.0	41.9	1.0
	N	A:GLN200	4.0	34.1	1.0
	CD	A:GLN200	4.2	76.0	1.0
	CA	A:THR205	4.2	52.0	1.0
	CA	A:GLN200	4.4	37.1	1.0
	N	A:THR205	4.5	45.8	1.0
	N	A:LYS204	4.7	42.3	1.0
	OE1	A:GLN200	4.8	84.3	1.0
	N	A:LEU206	4.9	38.4	1.0
	CA	A:LYS204	4.9	55.1	1.0
	CG	A:GLN200	4.9	64.8	1.0

Reference:

P.H.Rehse, M.Zhou, S.X.Lin. Crystal Structure of Human Dehydroepiandrosterone Sulphotransferase in Complex with Substrate. Biochem.J. V. 364 165 2002.
ISSN: ISSN 0264-6021
PubMed: 11988089

Page generated: Sun Aug 11 00:17:40 2024

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