Mercury in PDB 1i90: Carbonic Anhydrase II Complexed with Al-8520 2H-Thieno[3,2-E]-1,2- Thiazine-6-Sulfonamide, 4-Amino-3,4-Dihydro-2-(3-Methoxypropyl)-, 1, 1-Dioxide, (R)

Enzymatic activity of Carbonic Anhydrase II Complexed with Al-8520 2H-Thieno[3,2-E]-1,2- Thiazine-6-Sulfonamide, 4-Amino-3,4-Dihydro-2-(3-Methoxypropyl)-, 1, 1-Dioxide, (R)

All present enzymatic activity of Carbonic Anhydrase II Complexed with Al-8520 2H-Thieno[3,2-E]-1,2- Thiazine-6-Sulfonamide, 4-Amino-3,4-Dihydro-2-(3-Methoxypropyl)-, 1, 1-Dioxide, (R):
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase II Complexed with Al-8520 2H-Thieno[3,2-E]-1,2- Thiazine-6-Sulfonamide, 4-Amino-3,4-Dihydro-2-(3-Methoxypropyl)-, 1, 1-Dioxide, (R), PDB code: 1i90 was solved by C.-Y.Kim, J.S.Chang, J.Liao, J.A.May, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	20.00 / 2.00
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.400, 42.000, 72.000, 90.00, 104.40, 90.00
*R / R_free (%)*	15.8 / 23.4

Other elements in 1i90:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase II Complexed with Al-8520 2H-Thieno[3,2-E]-1,2- Thiazine-6-Sulfonamide, 4-Amino-3,4-Dihydro-2-(3-Methoxypropyl)-, 1, 1-Dioxide, (R) (pdb code 1i90). 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 Carbonic Anhydrase II Complexed with Al-8520 2H-Thieno[3,2-E]-1,2- Thiazine-6-Sulfonamide, 4-Amino-3,4-Dihydro-2-(3-Methoxypropyl)-, 1, 1-Dioxide, (R), PDB code: 1i90:

Mercury binding site 1 out of 1 in 1i90

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Mercury Binding Sites List in 1i90

Mercury binding site 1 out of 1 in the Carbonic Anhydrase II Complexed with Al-8520 2H-Thieno[3,2-E]-1,2- Thiazine-6-Sulfonamide, 4-Amino-3,4-Dihydro-2-(3-Methoxypropyl)-, 1, 1-Dioxide, (R)

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase II Complexed with Al-8520 2H-Thieno[3,2-E]-1,2- Thiazine-6-Sulfonamide, 4-Amino-3,4-Dihydro-2-(3-Methoxypropyl)-, 1, 1-Dioxide, (R) within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg263 b:33.3 occ:1.00	O	A:GLN137	3.2	19.9	1.0
	CB	A:CYS206	3.3	27.6	1.0
	O	A:VAL135	3.4	20.9	1.0
	C	A:GLN137	3.5	23.2	1.0
	N	A:GLN137	3.6	24.6	1.0
	O	A:GLU205	3.6	12.4	1.0
	N	A:CYS206	3.8	14.3	1.0
	C	A:GLU205	3.8	13.0	1.0
	C	A:GLN136	3.9	24.9	1.0
	CA	A:CYS206	4.0	19.0	1.0
	C	A:VAL135	4.0	19.2	1.0
	CA	A:GLN137	4.1	22.1	1.0
	N	A:PRO138	4.2	23.3	1.0
	O	A:HOH294	4.2	22.9	1.0
	N	A:GLU205	4.3	10.8	1.0
	CA	A:GLN136	4.3	22.1	1.0
	O	A:GLN136	4.4	28.1	1.0
	N	A:GLN136	4.4	19.1	1.0
	CA	A:GLU205	4.6	9.8	1.0
	CA	A:PRO138	4.6	24.6	1.0
	O	A:HOH361	4.7	18.6	1.0
	CB	A:LEU204	4.7	13.0	1.0
	CA	A:VAL135	4.9	16.9	1.0
	O	A:ALA134	4.9	19.4	1.0
	C	A:LEU204	4.9	12.1	1.0
	SG	A:CYS206	5.0	36.9	1.0

Reference:

C.Y.Kim, D.A.Whittington, J.S.Chang, J.Liao, J.A.May, D.W.Christianson. Structural Aspects of Isozyme Selectivity in the Binding of Inhibitors to Carbonic Anhydrases II and IV. J.Med.Chem. V. 45 888 2002.
ISSN: ISSN 0022-2623
PubMed: 11831900
DOI: 10.1021/JM010163D

Page generated: Sat Aug 10 23:59:13 2024

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