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Tin in PDB 5u83: Crystal Structure of A Merb-Trimethytin Complex.

Enzymatic activity of Crystal Structure of A Merb-Trimethytin Complex.

All present enzymatic activity of Crystal Structure of A Merb-Trimethytin Complex.:
4.99.1.2;

Protein crystallography data

The structure of Crystal Structure of A Merb-Trimethytin Complex., PDB code: 5u83 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) 33.59 / 1.61
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.540, 89.072, 54.526, 90.00, 98.65, 90.00
R / Rfree (%) 15.9 / 20.1

Other elements in 5u83:

The structure of Crystal Structure of A Merb-Trimethytin Complex. 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 Merb-Trimethytin Complex. (pdb code 5u83). 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 Merb-Trimethytin Complex., PDB code: 5u83:
Jump to Tin binding site number: 1; 2;

Tin binding site 1 out of 2 in 5u83

Go back to Tin Binding Sites List in 5u83
Tin binding site 1 out of 2 in the Crystal Structure of A Merb-Trimethytin Complex.


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 Merb-Trimethytin Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sn301

b:17.5
occ:0.72
SN1 A:ZN8301 0.0 17.5 0.7
C3 A:ZN8301 2.1 23.0 0.7
C2 A:ZN8301 2.1 19.0 0.7
C1 A:ZN8301 2.2 24.2 0.7
OD1 A:ASP99 2.6 27.3 1.0
O A:HOH638 2.6 36.6 1.0
CG A:ASP99 3.4 24.5 1.0
OD2 A:ASP99 3.5 23.2 1.0
HA A:ASP99 4.3 14.7 1.0
O A:HOH567 4.4 53.8 1.0
HG A:CYS96 4.4 15.1 1.0
HE1 A:PHE103 4.4 20.5 1.0
HG21 A:VAL154 4.4 31.0 1.0
HD12 A:ILE102 4.4 14.6 1.0
HZ A:PHE103 4.6 19.5 1.0
HG11 A:VAL154 4.7 52.1 1.0
CB A:ASP99 4.7 14.4 1.0
HA3 A:GLY75 4.7 12.1 1.0
HD13 A:ILE102 4.8 14.6 1.0
HG A:CYS159 4.9 24.0 1.0
CA A:ASP99 4.9 12.2 1.0
HD22 A:LEU10 4.9 19.5 1.0
HA2 A:GLY75 4.9 12.1 1.0
SG A:CYS159 4.9 20.0 1.0
CE1 A:PHE103 5.0 17.1 1.0
HE2 A:PHE158 5.0 16.3 1.0

Tin binding site 2 out of 2 in 5u83

Go back to Tin Binding Sites List in 5u83
Tin binding site 2 out of 2 in the Crystal Structure of A Merb-Trimethytin Complex.


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 Merb-Trimethytin Complex. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sn302

b:21.6
occ:0.72
SN1 B:ZN8302 0.0 21.6 0.7
C1 B:ZN8302 2.1 26.0 0.7
C3 B:ZN8302 2.1 30.0 0.7
C2 B:ZN8302 2.1 25.0 0.7
OD1 B:ASP99 2.7 34.7 1.0
CG B:ASP99 3.5 23.3 1.0
OD2 B:ASP99 3.6 21.8 1.0
HA B:ASP99 4.4 16.2 1.0
HG B:CYS96 4.4 16.6 1.0
HE1 B:PHE103 4.5 26.2 1.0
HZ B:PHE103 4.5 19.4 1.0
HA3 B:GLY75 4.7 17.5 1.0
HD12 B:ILE102 4.7 17.2 1.0
HA2 B:GLY75 4.7 17.5 1.0
CB B:ASP99 4.7 17.8 1.0
HD22 B:LEU10 4.8 28.3 1.0
HG21 B:VAL154 4.8 26.3 1.0
HE2 B:PHE158 4.9 16.2 1.0
CA B:ASP99 5.0 13.5 1.0
HE1 B:TYR74 5.0 27.1 0.5

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 02:10:20 2020

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