Mercury in PDB 3efi: Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv

Enzymatic activity of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv

All present enzymatic activity of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv:
4.2.1.1;

Protein crystallography data

The structure of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv, PDB code: 3efi was solved by C.Temperini, A.Innocenti, A.Scozzafava, C.T.Supuran, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	10.38 / 1.75
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.070, 41.320, 72.050, 90.00, 104.40, 90.00
*R / R_free (%)*	18.9 / 22.2

Other elements in 3efi:

The structure of Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv (pdb code 3efi). 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: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv, PDB code: 3efi:

Mercury binding site 1 out of 1 in 3efi

Go back to

Mercury Binding Sites List in 3efi

Mercury binding site 1 out of 1 in the Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv

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: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg306 b:20.2 occ:1.00	HG	A:MBO306	0.0	20.2	1.0
	SG	A:CYS206	2.1	4.8	0.5
	CE1	A:MBO306	2.3	19.8	1.0
	O	A:GLN137	3.0	10.9	1.0
	CB	A:CYS206	3.1	9.4	0.5
	CB	A:CYS206	3.1	8.2	0.5
	CE6	A:MBO306	3.1	22.7	1.0
	O	A:GLU205	3.1	9.0	1.0
	CE2	A:MBO306	3.2	20.5	1.0
	C	A:GLN137	3.4	11.2	1.0
	C	A:GLU205	3.4	8.1	1.0
	CA	A:CYS206	3.4	7.7	0.5
	CA	A:CYS206	3.4	8.8	0.5
	N	A:GLN137	3.7	12.3	1.0
	N	A:CYS206	3.7	8.4	1.0
	O	A:VAL135	3.9	15.0	1.0
	O	A:HOH424	3.9	19.0	1.0
	N	A:PRO138	3.9	10.7	1.0
	C	A:GLN136	4.0	13.3	1.0
	CA	A:GLN137	4.1	11.4	1.0
	CA	A:PRO138	4.1	9.8	1.0
	N	A:GLU205	4.2	8.3	1.0
	C	A:VAL135	4.3	12.6	1.0
	CA	A:GLU205	4.4	8.2	1.0
	SG	A:CYS206	4.4	13.1	0.5
	CA	A:GLN136	4.5	13.4	1.0
	CE5	A:MBO306	4.5	18.4	1.0
	CE3	A:MBO306	4.5	21.1	1.0
	O	A:GLN136	4.5	12.0	1.0
	N	A:GLN136	4.7	13.0	1.0
	O	A:HOH458	4.7	31.6	1.0
	C	A:LEU204	4.8	8.8	1.0
	C	A:CYS206	4.9	8.0	1.0
	CB	A:LEU204	4.9	9.6	1.0
	CB	A:GLU205	4.9	9.2	1.0
	CD	A:PRO138	5.0	11.5	1.0

Reference:

C.Temperini, A.Innocenti, A.Scozzafava, C.T.Supuran. Carbonic Anhydrase Activators: Kinetic and X-Ray Crystallographic Study For the Interaction of D- and L-Tryptophan with the Mammalian Isoforms I-Xiv Bioorg.Med.Chem. V. 16 8373 2008.
ISSN: ISSN 0968-0896
PubMed: 18774300
DOI: 10.1016/J.BMC.2008.08.043

Page generated: Fri Aug 8 10:05:59 2025

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