Mercury in PDB 4im3: Structure of Tank-Binding Kinase 1

All present enzymatic activity of Structure of Tank-Binding Kinase 1:
2.7.11.1;

The structure of Structure of Tank-Binding Kinase 1, PDB code: 4im3 was solved by D.Tu, M.J.Eck, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.80 / 3.34
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	141.320, 141.320, 85.421, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 27.9

The structure of Structure of Tank-Binding Kinase 1 also contains other interesting chemical elements:

Iodine	(I)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Mercury atom in the Structure of Tank-Binding Kinase 1 (pdb code 4im3). This binding sites where shown within 5.0 Angstroms radius around Mercury atom.
In total 5 binding sites of Mercury where determined in the Structure of Tank-Binding Kinase 1, PDB code: 4im3:
Jump to Mercury binding site number: 1; 2; 3; 4; 5;

Mercury binding site 1 out of 5 in the Structure of Tank-Binding Kinase 1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 1 of Structure of Tank-Binding Kinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg702 b:0.9 occ:0.44 SG A:CYS471 3.2 0.4 1.0 O A:GLN648 3.5 0.5 1.0 CB A:CYS471 3.8 99.5 1.0 CA A:CYS471 4.2 0.6 1.0 ND2 A:ASN474 4.4 0.3 1.0 C A:GLN648 4.5 0.9 1.0 CA A:GLN648 4.8 0.6 1.0 OE1 A:GLN648 4.8 0.3 1.0

Mercury binding site 2 out of 5 in the Structure of Tank-Binding Kinase 1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 2 of Structure of Tank-Binding Kinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg703 b:0.2 occ:0.49 O A:CYS423 3.0 0.8 1.0 CB A:CYS423 3.0 0.8 1.0 CA A:CYS423 3.2 0.8 1.0 C A:CYS423 3.4 0.2 1.0 SG A:CYS423 3.4 0.2 1.0 HG A:HG704 3.4 0.1 0.4 CB A:SER102 3.8 0.6 1.0 CA A:SER102 4.2 0.4 1.0 CB A:CYS426 4.5 0.1 1.0 N A:TYR424 4.5 0.2 1.0 N A:ARG427 4.5 92.4 1.0 CB A:ARG427 4.6 88.0 1.0 CD2 A:LEU556 4.6 0.0 1.0 N A:CYS423 4.7 0.1 1.0 O A:SER102 4.8 0.7 1.0 CA A:ARG427 5.0 91.9 1.0

Mercury binding site 3 out of 5 in the Structure of Tank-Binding Kinase 1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 3 of Structure of Tank-Binding Kinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg704 b:0.1 occ:0.37 SG A:CYS426 3.2 0.3 1.0 HG A:HG703 3.4 0.2 0.5 CB A:CYS426 3.5 0.1 1.0 N A:ARG427 3.5 92.4 1.0 C A:CYS426 3.5 0.1 1.0 O A:CYS426 3.7 0.6 1.0 CA A:ARG427 3.9 91.9 1.0 CA A:CYS426 4.1 1.0 1.0 O A:CYS423 4.3 0.8 1.0 CB A:ARG427 4.4 88.0 1.0 NE2 A:GLN553 4.5 0.7 1.0 CG1 A:VAL549 5.0 0.8 1.0

Mercury binding site 4 out of 5 in the Structure of Tank-Binding Kinase 1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 4 of Structure of Tank-Binding Kinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg705 b:0.4 occ:0.41 O A:CYS558 2.9 0.3 1.0 CA A:CYS558 3.3 0.7 1.0 C A:CYS558 3.5 0.5 1.0 CB A:CYS558 3.5 0.2 1.0 CG1 A:ILE562 4.0 0.4 1.0 CD1 A:ILE562 4.2 0.1 1.0 CB A:GLU561 4.2 0.5 1.0 SG A:CYS558 4.2 0.4 1.0 N A:CYS558 4.6 0.9 1.0 N A:MET559 4.8 94.9 1.0 N A:ILE562 4.9 0.6 1.0 O A:ASN557 4.9 0.9 1.0

Mercury binding site 5 out of 5 in the Structure of Tank-Binding Kinase 1


Mono view


Stereo pair view

A full contact list of Mercury with other atoms in the Hg binding site number 5 of Structure of Tank-Binding Kinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Hg706 b:0.3 occ:0.25 SG A:CYS91 3.2 0.4 1.0 CA A:CYS91 3.6 0.6 1.0 CB A:CYS91 3.7 0.4 1.0 N A:CYS91 4.3 0.6 1.0 O A:PRO90 4.5 0.4 1.0 C A:PRO90 4.6 0.3 1.0 CD1 A:ILE145 4.7 0.7 1.0 C A:CYS91 4.7 0.4 1.0 O A:CYS91 4.8 0.7 1.0 NH2 A:ARG143 5.0 0.1 1.0

D.Tu, Z.Zhu, A.Y.Zhou, C.H.Yun, K.E.Lee, A.V.Toms, Y.Li, G.P.Dunn, E.Chan, T.Thai, S.Yang, S.B.Ficarro, J.A.Marto, H.Jeon, W.C.Hahn, D.A.Barbie, M.J.Eck. Structure and Ubiquitination-Dependent Activation of Tank-Binding Kinase 1. Cell Rep V. 3 747 2013.
ISSN: ESSN 2211-1247
PubMed: 23453972
DOI: 10.1016/J.CELREP.2013.01.033