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Tin in PDB 5u82: Crystal Structure of A Merb-Triethyltin Complex

Enzymatic activity of Crystal Structure of A Merb-Triethyltin Complex

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

Protein crystallography data

The structure of Crystal Structure of A Merb-Triethyltin Complex, PDB code: 5u82 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) 46.16 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.572, 88.934, 54.575, 90.00, 98.28, 90.00
R / Rfree (%) 19.1 / 24.2

Other elements in 5u82:

The structure of Crystal Structure of A Merb-Triethyltin Complex also contains other interesting chemical elements:

Bromine (Br) 2 atoms

Tin Binding Sites:

The binding sites of Tin atom in the Crystal Structure of A Merb-Triethyltin Complex (pdb code 5u82). 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-Triethyltin Complex, PDB code: 5u82:
Jump to Tin binding site number: 1; 2;

Tin binding site 1 out of 2 in 5u82

Go back to Tin Binding Sites List in 5u82
Tin binding site 1 out of 2 in the Crystal Structure of A Merb-Triethyltin 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-Triethyltin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sn301

b:16.4
occ:1.00
SN1 A:ZN0301 0.0 16.4 1.0
C3 A:ZN0301 2.1 20.7 1.0
C2 A:ZN0301 2.1 20.7 1.0
C5 A:ZN0301 2.1 20.7 1.0
OD1 A:ASP99 2.4 15.5 1.0
H4 A:ZN0301 2.6 24.8 1.0
H3 A:ZN0301 2.6 24.8 1.0
H6 A:ZN0301 2.6 24.8 1.0
H5 A:ZN0301 2.6 24.8 1.0
O A:HOH409 2.7 34.9 1.0
BR A:BR303 2.8 25.2 0.8
H14 A:ZN0301 2.8 24.8 1.0
C4 A:ZN0301 2.8 20.7 1.0
C1 A:ZN0301 3.0 20.7 1.0
H13 A:ZN0301 3.0 24.8 1.0
C6 A:ZN0301 3.0 20.7 1.0
H12 A:ZN0301 3.1 24.8 1.0
H11 A:ZN0301 3.2 24.8 1.0
CG A:ASP99 3.3 13.8 1.0
OD2 A:ASP99 3.5 18.7 1.0
HE1 A:PHE103 4.3 14.1 1.0
HG21 A:VAL154 4.3 31.2 1.0
HG A:CYS159 4.4 22.0 1.0
HA A:ASP99 4.4 19.2 1.0
O A:HOH568 4.4 42.4 1.0
HG A:CYS96 4.5 15.1 1.0
HZ A:PHE103 4.6 17.2 1.0
CB A:ASP99 4.6 9.1 1.0
HA3 A:GLY75 4.6 9.1 1.0
HA2 A:GLY75 4.8 9.1 1.0
HD12 A:ILE102 4.9 23.9 1.0
HD22 A:LEU10 4.9 29.8 1.0
HG11 A:VAL154 4.9 38.3 1.0
CE1 A:PHE103 4.9 11.8 1.0
CA A:ASP99 5.0 16.0 1.0
HG22 A:VAL154 5.0 31.2 1.0
HB3 A:ASP99 5.0 10.9 1.0

Tin binding site 2 out of 2 in 5u82

Go back to Tin Binding Sites List in 5u82
Tin binding site 2 out of 2 in the Crystal Structure of A Merb-Triethyltin 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-Triethyltin Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sn301

b:15.8
occ:1.00
SN1 B:ZN0301 0.0 15.8 1.0
C5 B:ZN0301 2.1 20.7 1.0
C2 B:ZN0301 2.1 20.7 1.0
C3 B:ZN0301 2.1 20.7 1.0
OD1 B:ASP99 2.4 15.0 1.0
H6 B:ZN0301 2.6 24.8 1.0
H5 B:ZN0301 2.6 24.8 1.0
H3 B:ZN0301 2.6 24.8 1.0
H4 B:ZN0301 2.6 24.8 1.0
O B:HOH576 2.6 23.3 1.0
H12 B:ZN0301 2.9 24.8 1.0
H13 B:ZN0301 3.0 24.8 1.0
C1 B:ZN0301 3.0 20.7 1.0
C6 B:ZN0301 3.0 20.7 1.0
C4 B:ZN0301 3.0 20.7 1.0
CG B:ASP99 3.2 11.9 1.0
H14 B:ZN0301 3.3 24.8 1.0
OD2 B:ASP99 3.4 15.1 1.0
H11 B:ZN0301 3.5 24.8 1.0
HE1 B:PHE103 4.3 21.9 1.0
HA B:ASP99 4.4 16.6 1.0
HZ B:PHE103 4.4 17.9 1.0
HG B:CYS96 4.6 16.8 1.0
CB B:ASP99 4.6 10.3 1.0
HA3 B:GLY75 4.6 15.6 1.0
O B:HOH422 4.7 43.6 1.0
HD12 B:ILE102 4.7 12.8 1.0
HD22 B:LEU10 4.8 29.3 1.0
HG21 B:VAL154 4.8 20.8 1.0
HA2 B:GLY75 4.9 15.6 1.0
CE1 B:PHE103 4.9 18.3 1.0
CA B:ASP99 5.0 13.8 1.0
CZ B:PHE103 5.0 14.9 1.0
HB3 B:ASP99 5.0 12.3 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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