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Tin in PDB 5u7b: Crystal Structure of A the Tin-Bound Form of Merb Formed From Diethyltin.

Enzymatic activity of Crystal Structure of A the Tin-Bound Form of Merb Formed From Diethyltin.

All present enzymatic activity of Crystal Structure of A the Tin-Bound Form of Merb Formed From Diethyltin.:
4.99.1.2;

Protein crystallography data

The structure of Crystal Structure of A the Tin-Bound Form of Merb Formed From Diethyltin., PDB code: 5u7b 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) 46.50 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 37.860, 88.802, 55.010, 90.00, 97.19, 90.00
R / Rfree (%) 16.5 / 22.4

Other elements in 5u7b:

The structure of Crystal Structure of A the Tin-Bound Form of Merb Formed From Diethyltin. 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 the Tin-Bound Form of Merb Formed From Diethyltin. (pdb code 5u7b). 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 the Tin-Bound Form of Merb Formed From Diethyltin., PDB code: 5u7b:
Jump to Tin binding site number: 1; 2;

Tin binding site 1 out of 2 in 5u7b

Go back to Tin Binding Sites List in 5u7b
Tin binding site 1 out of 2 in the Crystal Structure of A the Tin-Bound Form of Merb Formed From Diethyltin.


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 the Tin-Bound Form of Merb Formed From Diethyltin. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Sn303

b:28.6
occ:0.86
OD1 A:ASP99 2.1 25.9 1.0
O A:HOH469 2.4 31.4 1.0
SG A:CYS159 2.4 38.8 1.0
O A:HOH456 2.4 41.2 1.0
SG A:CYS96 2.6 26.0 1.0
CG A:ASP99 2.8 32.5 1.0
OD2 A:ASP99 3.0 27.9 1.0
HB2 A:CYS159 3.2 46.5 1.0
HB3 A:CYS159 3.2 46.5 1.0
CB A:CYS159 3.3 38.7 1.0
HB3 A:CYS96 3.3 29.6 1.0
CB A:CYS96 3.6 24.7 1.0
H A:ASP99 4.0 26.6 1.0
HB2 A:TRP95 4.1 31.9 1.0
HB2 A:CYS96 4.2 29.6 1.0
CB A:ASP99 4.3 27.1 1.0
H A:CYS96 4.4 33.6 1.0
N A:CYS96 4.5 28.0 1.0
N A:ASP99 4.5 22.2 1.0
CA A:CYS96 4.6 27.6 1.0
HA A:ASP99 4.6 29.8 1.0
HB2 A:ASP99 4.7 32.5 1.0
HE3 A:TRP95 4.7 39.8 1.0
HB3 A:LEU98 4.7 33.5 1.0
HG12 A:VAL154 4.7 89.0 1.0
HD2 A:PHE158 4.7 41.8 1.0
CA A:ASP99 4.7 24.8 1.0
CA A:CYS159 4.8 41.1 1.0
HA A:ARG155 4.8 71.3 1.0
HB3 A:ASP99 4.8 32.5 1.0
HB3 A:TRP95 4.9 31.9 1.0
HA2 A:GLY75 5.0 36.0 1.0
CB A:TRP95 5.0 26.6 1.0
H A:CYS159 5.0 49.8 1.0

Tin binding site 2 out of 2 in 5u7b

Go back to Tin Binding Sites List in 5u7b
Tin binding site 2 out of 2 in the Crystal Structure of A the Tin-Bound Form of Merb Formed From Diethyltin.


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 the Tin-Bound Form of Merb Formed From Diethyltin. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Sn302

b:28.4
occ:0.88
O B:HOH455 2.1 31.4 1.0
OD1 B:ASP99 2.2 29.7 1.0
O B:HOH458 2.5 31.4 1.0
SG B:CYS159 2.5 38.4 1.0
HG B:CYS96 2.6 33.1 1.0
SG B:CYS96 2.6 27.6 1.0
CG B:ASP99 2.9 29.8 1.0
OD2 B:ASP99 3.0 29.8 1.0
HB3 B:CYS96 3.7 28.6 1.0
CB B:CYS159 3.8 38.6 1.0
HB3 B:CYS159 3.8 46.4 1.0
CB B:CYS96 3.8 23.8 1.0
HA B:CYS159 3.8 52.4 1.0
HB2 B:TRP95 3.9 24.9 1.0
H B:ASP99 4.0 35.9 1.0
H B:CYS96 4.2 31.6 1.0
CA B:CYS159 4.3 43.7 1.0
CB B:ASP99 4.3 30.0 1.0
N B:CYS96 4.4 26.4 1.0
HB3 B:TRP95 4.4 24.9 1.0
HE3 B:TRP95 4.5 33.6 1.0
HB2 B:CYS96 4.5 28.6 1.0
HB2 B:CYS159 4.6 46.4 1.0
HB3 B:LEU98 4.6 33.4 1.0
N B:ASP99 4.6 29.9 1.0
CB B:TRP95 4.6 20.8 1.0
H B:CYS159 4.6 52.6 1.0
CA B:CYS96 4.7 29.3 1.0
HG22 B:VAL154 4.7 54.3 1.0
HB2 B:ASP99 4.7 36.0 1.0
HA B:ASP99 4.8 36.0 1.0
N B:CYS159 4.8 43.9 1.0
CA B:ASP99 4.8 30.0 1.0
HB3 B:ASP99 4.9 36.0 1.0
C B:TRP95 4.9 24.6 1.0
HA2 B:GLY75 5.0 31.5 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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