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Tin in PDB 5u7a: 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: 5u7a 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) 43.98 / 1.53
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.055, 88.648, 51.490, 90.00, 100.34, 90.00
R / Rfree (%) 17.3 / 21.1

Other elements in 5u7a:

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 5u7a). 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: 5u7a:
Jump to Tin binding site number: 1; 2;

Tin binding site 1 out of 2 in 5u7a

Go back to Tin Binding Sites List in 5u7a
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:16.1
occ:0.77
O A:HOH457 2.3 21.7 1.0
O A:HOH524 2.3 30.1 1.0
O A:HOH529 2.4 17.4 1.0
OD1 A:ASP99 2.4 21.9 1.0
SG A:CYS96 2.6 14.8 1.0
OD2 A:ASP99 2.7 17.2 1.0
CG A:ASP99 2.9 22.7 1.0
O A:HOH545 3.3 26.3 1.0
HB3 A:CYS96 3.4 23.6 1.0
O A:HOH424 3.5 17.0 1.0
HB3 A:PHE158 3.6 21.3 1.0
CB A:CYS96 3.7 19.6 1.0
HD2 A:PHE158 3.8 27.5 1.0
HB2 A:TRP95 3.9 15.8 1.0
H A:CYS96 4.1 18.5 1.0
HB2 A:PHE158 4.1 21.3 1.0
H A:ASP99 4.2 16.2 1.0
CB A:PHE158 4.3 17.8 1.0
N A:CYS96 4.3 15.4 1.0
CB A:ASP99 4.4 16.3 1.0
HB2 A:CYS96 4.4 23.6 1.0
HE3 A:TRP95 4.4 17.5 1.0
CD2 A:PHE158 4.5 22.9 1.0
HB3 A:TRP95 4.5 15.8 1.0
HA A:ARG155 4.5 32.3 1.0
CA A:CYS96 4.6 18.4 1.0
CB A:TRP95 4.7 13.2 1.0
HB2 A:ASP99 4.7 19.5 1.0
N A:ASP99 4.8 13.5 1.0
CG A:PHE158 4.8 22.2 1.0
HB3 A:LEU98 4.9 16.1 1.0
HG A:CYS159 4.9 32.4 1.0
HB3 A:ASP99 4.9 19.5 1.0
HA A:ASP99 4.9 21.0 1.0
C A:TRP95 4.9 17.4 1.0
CA A:ASP99 5.0 17.5 1.0

Tin binding site 2 out of 2 in 5u7a

Go back to Tin Binding Sites List in 5u7a
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:22.3
occ:0.91
O B:HOH407 1.9 30.7 1.0
O B:HOH488 2.0 33.1 1.0
O B:HOH499 2.1 28.1 1.0
OD1 B:ASP99 2.2 19.6 1.0
O B:HOH522 2.3 34.2 1.0
CG B:ASP99 3.2 24.4 1.0
OD2 B:ASP99 3.5 30.7 1.0
HE1 B:PHE103 4.2 19.7 1.0
HA B:ASP99 4.3 20.4 1.0
O B:HOH497 4.3 39.4 1.0
HZ B:PHE103 4.4 24.4 1.0
CB B:ASP99 4.5 18.6 1.0
HD12 B:ILE102 4.5 21.5 1.0
HA3 B:GLY75 4.6 21.7 1.0
HB3 B:ASP99 4.8 22.3 1.0
HD13 B:ILE102 4.8 21.5 1.0
CE1 B:PHE103 4.8 16.4 1.0
HD22 B:LEU10 4.9 40.5 1.0
HA2 B:GLY75 4.9 21.7 1.0
CA B:ASP99 4.9 17.0 1.0
CZ B:PHE103 5.0 20.4 1.0
HG21 B:VAL154 5.0 29.1 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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