Bromine in PDB 5u79: Crystal Structure of A Complex Formed Between Merb and Dimethyltin

Enzymatic activity of Crystal Structure of A Complex Formed Between Merb and Dimethyltin

All present enzymatic activity of Crystal Structure of A Complex Formed Between Merb and Dimethyltin:
4.99.1.2;

Protein crystallography data

The structure of Crystal Structure of A Complex Formed Between Merb and Dimethyltin, PDB code: 5u79 was solved by H.M.Wahba, M.Stevenson, A.Mansour, J.Sygusch, D.E.Wilcox, J.G.Omichinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	26.06 / 1.60
*Space group*	P 1 2₁ 1
*Cell size a, b, c (Å), α, β, γ (°)*	38.585, 89.236, 54.680, 90.00, 98.48, 90.00
*R / R_free (%)*	17 / 20.4

Other elements in 5u79:

The structure of Crystal Structure of A Complex Formed Between Merb and Dimethyltin also contains other interesting chemical elements:

Tin

(Sn)

2 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of A Complex Formed Between Merb and Dimethyltin (pdb code 5u79). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of A Complex Formed Between Merb and Dimethyltin, PDB code: 5u79:

Bromine binding site 1 out of 1 in 5u79

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Bromine Binding Sites List in 5u79

Bromine binding site 1 out of 1 in the Crystal Structure of A Complex Formed Between Merb and Dimethyltin

Mono view

Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of A Complex Formed Between Merb and Dimethyltin within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Br302 b:67.7 occ:0.71	HB3	A:LYS2	2.8	59.6	1.0
	HD3	A:PRO5	3.0	26.0	1.0
	HD3	A:LYS2	3.3	64.8	1.0
	HB3	A:ALA4	3.4	21.7	1.0
	HB2	A:LYS2	3.4	59.6	1.0
	O	A:HOH554	3.5	38.9	1.0
	CB	A:LYS2	3.5	49.6	1.0
	HG3	A:PRO5	3.8	29.8	1.0
	CD	A:PRO5	3.9	21.7	1.0
	HE2	A:LYS2	4.0	67.5	1.0
	CD	A:LYS2	4.1	54.0	1.0
	CG	A:PRO5	4.1	24.8	1.0
	H	A:ALA4	4.2	25.2	1.0
	HG2	A:PRO5	4.2	29.8	1.0
	HD2	A:PRO5	4.2	26.0	1.0
	O	A:LYS2	4.3	38.1	1.0
	CB	A:ALA4	4.3	18.1	1.0
	CG	A:LYS2	4.4	51.1	1.0
	C	A:LYS2	4.5	36.9	1.0
	HB2	A:ALA4	4.5	21.7	1.0
	CA	A:LYS2	4.6	40.6	1.0
	CE	A:LYS2	4.6	56.3	1.0
	N	A:ALA4	4.8	21.0	1.0
	HA	A:LYS2	4.8	48.8	1.0
	HG2	A:LYS2	4.8	61.4	1.0
	HD2	A:LYS2	4.8	64.8	1.0
	HB1	A:ALA4	4.9	21.7	1.0
	N	A:PRO5	4.9	21.0	1.0

Reference:

H.M.Wahba, M.J.Stevenson, A.Mansour, J.Sygusch, D.E.Wilcox, J.G.Omichinski. Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase Merb Provide New Insights Into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc. V. 139 910 2017.
ISSN: ESSN 1520-5126
PubMed: 27989130
DOI: 10.1021/JACS.6B11327

Page generated: Thu Jul 11 01:10:10 2024

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