Zinc in PDB 4mvt: Crystal Structure of Sumo E3 Ligase PIAS3

The structure of Crystal Structure of Sumo E3 Ligase PIAS3, PDB code: 4mvt was solved by A.Dong, J.Hu, Y.Li, W.Tempel, C.Bountra, C.H.Arrowsmith, A.M.Edwards, Y.Tong, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.04 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.450, 85.440, 89.530, 83.08, 86.57, 86.14
R / Rfree (%)	23.8 / 27

The structure of Crystal Structure of Sumo E3 Ligase PIAS3 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Sumo E3 Ligase PIAS3 (pdb code 4mvt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Sumo E3 Ligase PIAS3, PDB code: 4mvt:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Sumo E3 Ligase PIAS3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Sumo E3 Ligase PIAS3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:41.2 occ:1.00 NE2 A:HIS345 1.9 40.8 1.0 SG A:CYS343 2.2 54.8 1.0 SG A:CYS369 2.2 48.9 1.0 SG A:CYS366 2.3 41.5 1.0 CD2 A:HIS345 2.9 42.0 1.0 CE1 A:HIS345 3.0 39.4 1.0 CB A:CYS366 3.1 38.5 1.0 CB A:CYS343 3.2 49.9 1.0 CB A:CYS369 3.5 45.9 1.0 N A:CYS369 3.8 44.6 1.0 CG A:HIS345 4.0 40.0 1.0 ND1 A:HIS345 4.1 39.8 1.0 CA A:CYS369 4.2 46.1 1.0 CA A:CYS343 4.2 49.1 1.0 CB A:VAL368 4.6 41.2 1.0 CA A:CYS366 4.6 38.7 1.0 O A:HOH622 4.8 38.4 1.0 C A:VAL368 4.8 46.7 1.0 C A:CYS369 4.9 53.9 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Sumo E3 Ligase PIAS3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Sumo E3 Ligase PIAS3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:43.6 occ:1.00 NE2 B:HIS345 2.0 41.6 1.0 SG B:CYS369 2.2 51.4 1.0 SG B:CYS343 2.2 51.9 1.0 SG B:CYS366 2.3 42.3 1.0 CD2 B:HIS345 3.0 42.5 1.0 CB B:CYS366 3.1 39.1 1.0 CE1 B:HIS345 3.1 40.6 1.0 CB B:CYS343 3.3 47.6 1.0 CB B:CYS369 3.4 48.5 1.0 N B:CYS369 3.7 46.3 1.0 CA B:CYS369 4.1 48.3 1.0 O B:HOH630 4.1 46.9 1.0 CG B:HIS345 4.1 41.3 1.0 ND1 B:HIS345 4.2 41.3 1.0 CA B:CYS343 4.3 47.0 1.0 CB B:VAL368 4.5 42.8 1.0 CA B:CYS366 4.6 39.3 1.0 C B:VAL368 4.8 47.7 1.0 C B:CYS369 4.8 55.3 1.0 O B:HOH629 4.9 45.4 1.0 N B:ASP370 4.9 51.2 1.0 CA B:VAL368 5.0 41.3 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Sumo E3 Ligase PIAS3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Sumo E3 Ligase PIAS3 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn501 b:44.5 occ:1.00 NE2 C:HIS345 2.0 42.0 1.0 SG C:CYS343 2.2 53.8 1.0 SG C:CYS369 2.4 50.0 1.0 SG C:CYS366 2.4 40.5 1.0 CE1 C:HIS345 3.0 40.6 1.0 CD2 C:HIS345 3.1 43.0 1.0 CB C:CYS366 3.2 37.6 1.0 CB C:CYS343 3.2 48.9 1.0 CB C:CYS369 3.6 46.9 1.0 N C:CYS369 3.8 46.1 1.0 ND1 C:HIS345 4.2 41.2 1.0 CG C:HIS345 4.2 41.2 1.0 CA C:CYS343 4.2 47.8 1.0 CA C:CYS369 4.3 47.4 1.0 CB C:VAL368 4.4 42.7 1.0 CA C:CYS366 4.6 38.3 1.0 C C:VAL368 4.8 48.3 1.0 O C:HOH622 4.9 36.3 1.0 C C:CYS369 4.9 54.9 1.0 CG1 C:VAL368 5.0 42.1 1.0 CA C:VAL368 5.0 41.0 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Sumo E3 Ligase PIAS3


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Sumo E3 Ligase PIAS3 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn501 b:44.7 occ:1.00 NE2 D:HIS345 2.1 40.5 1.0 SG D:CYS369 2.2 49.6 1.0 SG D:CYS343 2.3 51.0 1.0 SG D:CYS366 2.3 44.2 1.0 CD2 D:HIS345 3.1 41.6 1.0 CE1 D:HIS345 3.1 39.3 1.0 CB D:CYS366 3.2 40.6 1.0 CB D:CYS343 3.2 46.9 1.0 CB D:CYS369 3.5 46.7 1.0 N D:CYS369 3.8 45.7 1.0 CA D:CYS343 4.2 47.0 1.0 CA D:CYS369 4.2 47.0 1.0 CG D:HIS345 4.2 40.4 1.0 ND1 D:HIS345 4.3 40.3 1.0 CB D:VAL368 4.4 40.4 1.0 CA D:CYS366 4.6 40.5 1.0 O D:HOH618 4.7 38.8 1.0 C D:VAL368 4.8 48.0 1.0 CG1 D:VAL368 4.9 40.2 1.0 C D:CYS369 4.9 53.8 1.0 CA D:VAL368 5.0 39.9 1.0

J.Hu, A.Dong, Y.Li, W.Tempel, C.Bountra, C.H.Arrowsmith, A.M.Edwards, Y.Tong, Structural Genomics Consortium (Sgc). Crystal Structure of Sumo E3 Ligase PIAS3 To Be Published.