Cadmium in PDB 4m5e: TSE3 Structure

The structure of TSE3 Structure, PDB code: 4m5e was solved by Y.Qian, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.60 / 1.49
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	166.995, 70.128, 41.940, 90.00, 90.52, 90.00
R / Rfree (%)	18.1 / 19.9

The structure of TSE3 Structure also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Cadmium atom in the TSE3 Structure (pdb code 4m5e). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total only one binding site of Cadmium was determined in the TSE3 Structure, PDB code: 4m5e:

Cadmium binding site 1 out of 1 in the TSE3 Structure


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of TSE3 Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd504 b:20.3 occ:1.00 O A:HOH602 2.1 20.9 1.0 OD1 A:ASP18 2.1 26.4 1.0 O A:GLN20 2.3 21.1 1.0 OE1 A:GLU25 2.3 20.7 1.0 O A:HOH601 2.3 23.5 1.0 OE2 A:GLU25 2.4 17.7 1.0 OD2 A:ASP18 2.4 27.1 1.0 CG A:ASP18 2.5 34.1 1.0 CD A:GLU25 2.7 22.5 1.0 C A:GLN20 3.4 21.6 1.0 CB A:ASP18 4.0 33.1 1.0 CA A:VAL21 4.1 19.1 1.0 N A:VAL21 4.2 19.4 1.0 CG A:GLU25 4.2 19.6 1.0 O A:SER13 4.3 23.6 1.0 O A:LEU11 4.4 16.9 1.0 N A:GLN20 4.4 20.7 1.0 N A:THR22 4.5 19.4 1.0 CA A:GLN20 4.5 21.5 1.0 CA A:ASP18 4.5 32.8 1.0 O A:HOH790 4.6 32.6 1.0 CG2 A:THR22 4.7 25.6 1.0 C A:ASP18 4.8 29.1 1.0 C A:VAL21 4.8 22.0 1.0 CB A:GLU25 5.0 17.4 1.0

D.Lu, G.Shang, H.Zhang, Q.Yu, X.Cong, J.Yuan, F.He, C.Zhu, Y.Zhao, K.Yin, Y.Chen, J.Hu, X.Zhang, Z.Yuan, S.Xu, W.Hu, H.Cang, L.Gu. Structural Insights Into the T6SS Effector Protein TSE3 and the TSE3-TSI3 Complex From Pseudomonas Aeruginosa Reveal A Calcium-Dependent Membrane-Binding Mechanism Mol.Microbiol. V. 92 1092 2014.
ISSN: ISSN 0950-382X
PubMed: 24724564
DOI: 10.1111/MMI.12616