Mercury in PDB 2fmz: Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine.

Enzymatic activity of Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine.

All present enzymatic activity of Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine.:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine., PDB code: 2fmz was solved by C.Temperini, A.Scozzafava, D.Vullo, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	14.35 / 1.60
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.090, 41.380, 72.100, 90.00, 104.40, 90.00
*R / R_free (%)*	21.8 / 23.7

Other elements in 2fmz:

The structure of Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine. also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine. (pdb code 2fmz). 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 Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine., PDB code: 2fmz:

Mercury binding site 1 out of 1 in 2fmz

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Mercury Binding Sites List in 2fmz

Mercury binding site 1 out of 1 in the Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine.

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII and Xiv with L- and D- Phenylalanine, Structure with D- Phenylalanine. within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg263 b:19.6 occ:1.00	SG	A:CYS206	2.4	11.4	1.0
	O	A:HOH451	2.4	18.1	1.0
	O	A:HOH340	2.7	16.6	1.0
	O	A:GLN137	2.9	5.9	1.0
	O	A:GLU205	3.0	6.8	1.0
	CB	A:CYS206	3.1	5.8	1.0
	C	A:GLN137	3.3	7.5	1.0
	C	A:GLU205	3.4	5.2	1.0
	O	A:HOH378	3.5	32.0	1.0
	CA	A:CYS206	3.5	5.1	1.0
	N	A:CYS206	3.6	5.9	1.0
	N	A:GLN137	3.6	8.6	1.0
	O	A:HOH333	3.8	27.4	1.0
	O	A:VAL135	3.8	14.0	1.0
	N	A:PRO138	3.8	7.5	1.0
	C	A:GLN136	3.9	11.0	1.0
	CA	A:GLN137	4.0	6.8	1.0
	CA	A:PRO138	4.1	7.9	1.0
	C	A:VAL135	4.2	11.7	1.0
	N	A:GLU205	4.3	6.0	1.0
	O	A:GLN136	4.3	12.8	1.0
	CA	A:GLN136	4.3	12.9	1.0
	CA	A:GLU205	4.4	5.6	1.0
	N	A:GLN136	4.5	10.9	1.0
	O	A:HOH344	4.8	34.5	1.0
	CD	A:PRO138	4.8	10.9	1.0
	C	A:CYS206	4.9	5.9	1.0
	C	A:LEU204	4.9	5.9	1.0
	CB	A:LEU204	5.0	9.7	1.0
	C	A:PRO138	5.0	7.7	1.0

Reference:

C.Temperini, A.Scozzafava, D.Vullo, C.T.Supuran. Carbonic Anhydrase Activators. Activation of Isoforms I, II, IV, Va, VII, and Xiv with L- and D-Phenylalanine and Crystallographic Analysis of Their Adducts with Isozyme II: Stereospecific Recognition Within the Active Site of An Enzyme and Its Consequences For the Drug Design. J.Med.Chem. V. 49 3019 2006.
ISSN: ISSN 0022-2623
PubMed: 16686544
DOI: 10.1021/JM0603320

Page generated: Sun Aug 11 02:33:12 2024

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