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Tin 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 / Rfree (%) 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:

Bromine (Br) 1 atom

Tin Binding Sites:

The binding sites of Tin 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 Tin atom.
In total 2 binding sites of Tin where determined in the Crystal Structure of A Complex Formed Between Merb and Dimethyltin, PDB code: 5u79:
Jump to Tin binding site number: 1; 2;

Tin binding site 1 out of 2 in 5u79

Go back to Tin Binding Sites List in 5u79
Tin binding site 1 out of 2 in the Crystal Structure of A Complex Formed Between Merb and Dimethyltin


Mono view


Stereo pair view

A full contact list of Tin with other atoms in the Sn 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:Sn301

b:20.0
occ:0.88
O A:HOH501 2.0 36.5 1.0
OD1 A:ASP99 2.1 16.3 1.0
O A:HOH562 2.2 45.3 1.0
O A:HOH610 2.3 32.7 1.0
O A:HOH575 2.4 64.7 1.0
CG A:ASP99 3.2 21.5 1.0
OD2 A:ASP99 3.5 21.3 1.0
HA A:ASP99 4.2 19.1 1.0
O A:HOH618 4.3 28.7 1.0
HZ A:PHE103 4.3 19.8 1.0
O A:HOH588 4.4 47.9 1.0
CB A:ASP99 4.5 18.7 1.0
HE1 A:PHE103 4.5 20.6 1.0
HA3 A:GLY75 4.5 15.2 1.0
HD12 A:ILE102 4.6 22.8 1.0
HA2 A:GLY75 4.6 15.2 1.0
HE2 A:PHE158 4.8 16.7 1.0
CA A:ASP99 4.8 15.9 1.0
HB3 A:ASP99 4.8 22.4 1.0
CZ A:PHE103 4.9 16.5 1.0

Tin binding site 2 out of 2 in 5u79

Go back to Tin Binding Sites List in 5u79
Tin binding site 2 out of 2 in the Crystal Structure of A Complex Formed Between Merb and Dimethyltin


Mono view


Stereo pair view

A full contact list of Tin with other atoms in the Sn binding site number 2 of Crystal Structure of A Complex Formed Between Merb and Dimethyltin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sn301

b:22.2
occ:0.83
OD1 B:ASP99 2.2 20.9 1.0
O B:HOH590 2.4 50.9 1.0
O B:HOH621 2.4 49.7 1.0
O B:HOH602 2.5 57.8 1.0
O B:HOH424 2.5 48.4 1.0
CG B:ASP99 3.3 21.3 1.0
OD2 B:ASP99 3.7 26.3 1.0
HA B:ASP99 4.3 18.4 1.0
HE1 B:PHE103 4.3 24.5 1.0
HZ B:PHE103 4.4 24.3 1.0
O B:HOH542 4.5 38.6 1.0
CB B:ASP99 4.6 18.7 1.0
HA3 B:GLY75 4.7 17.8 1.0
HD12 B:ILE102 4.7 21.3 1.0
HA2 B:GLY75 4.7 17.8 1.0
HD22 B:LEU10 4.8 25.5 1.0
HE2 B:PHE158 4.8 14.0 1.0
HG21 B:VAL154 4.9 23.1 1.0
CA B:ASP99 4.9 15.3 1.0
CE1 B:PHE103 4.9 20.4 1.0
HB3 B:ASP99 4.9 22.4 1.0
CZ B:PHE103 5.0 20.3 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: Wed Dec 16 02:10:19 2020

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