Mercury in PDB 5t71: Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2

Enzymatic activity of Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2

All present enzymatic activity of Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2:
4.2.1.1;

Protein crystallography data

The structure of Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2, PDB code: 5t71 was solved by K.H.Dubay, K.Iwan, L.Osorio-Planes, P.Geissler, M.Groll, D.Trauner, J.Broichhagen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	15.00 / 1.30
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	42.350, 41.450, 72.460, 90.00, 104.29, 90.00
*R / R_free (%)*	14.8 / 17.1

Other elements in 5t71:

The structure of Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2 also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

Mercury Binding Sites:

The binding sites of Mercury atom in the Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2 (pdb code 5t71). 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 Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2, PDB code: 5t71:

Mercury binding site 1 out of 1 in 5t71

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Mercury Binding Sites List in 5t71

Mercury binding site 1 out of 1 in the Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2

Mono view

Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Human Carboanhydrase F131C_C206S Double Mutant in Complex with Sa-2 within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Hg302 b:20.5 occ:1.00	HG	A:HGB302	0.0	20.5	1.0
	O	A:HOH659	1.7	20.3	1.0
	SG	A:CYS130	2.2	15.1	1.0
	C7	A:HGB302	2.3	23.6	1.0
	O	A:CYS130	3.1	10.5	1.0
	C6	A:HGB302	3.2	24.9	1.0
	C5	A:HGB302	3.2	23.7	1.0
	CB	A:CYS130	3.3	11.5	1.0
	C	A:CYS130	3.4	10.6	1.0
	O	A:HOH576	3.7	50.8	1.0
	O	A:HOH666	3.8	43.1	1.0
	CA	A:CYS130	3.9	11.4	1.0
	N	A:GLY131	4.0	12.4	1.0
	O	A:HOH657	4.0	36.7	1.0
	CB	A:VAL134	4.2	12.9	1.0
	CA	A:GLY131	4.4	12.7	1.0
	C4	A:HGB302	4.5	26.5	1.0
	CG1	A:VAL134	4.5	13.3	1.0
	C3	A:HGB302	4.5	25.4	1.0
	CD2	A:LEU140	4.6	12.5	1.0
	CG2	A:VAL134	4.7	14.3	1.0

Reference:

K.H.Dubay, K.Iwan, L.Osorio-Planes, P.L.Geissler, M.Groll, D.Trauner, J.Broichhagen. A Predictive Approach For the Optical Control of Carbonic Anhydrase II Activity. Acs Chem. Biol. V. 13 793 2018.
ISSN: ESSN 1554-8937
PubMed: 29357237
DOI: 10.1021/ACSCHEMBIO.7B00862

Page generated: Sun Aug 11 06:52:12 2024

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