Zinc in PDB 5a1f: Crystal Structure of the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine.

The structure of Crystal Structure of the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine., PDB code: 5a1f was solved by V.Srikannathasan, C.Johansson, C.Strain-Damerell, C.Gileadi, A.Szykowska, K.Kupinska, J.Kopec, T.Krojer, H.Steuber, F.Von Delft, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.01 / 2.10
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.855, 141.855, 152.129, 90.00, 90.00, 120.00
R / Rfree (%)	19.931 / 22.501

The structure of Crystal Structure of the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine. also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine. (pdb code 5a1f). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine., PDB code: 5a1f:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine.


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 the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1754 b:34.5 occ:1.00 ND1 A:HIS718 2.2 43.2 1.0 SG A:CYS692 2.2 32.4 1.0 SG A:CYS715 2.2 34.7 1.0 SG A:CYS695 2.4 35.9 1.0 CE1 A:HIS718 3.1 43.1 1.0 CB A:CYS692 3.1 33.9 1.0 CG A:HIS718 3.2 41.5 1.0 CB A:CYS695 3.3 35.5 1.0 CB A:CYS715 3.5 32.2 1.0 CB A:HIS718 3.6 36.8 1.0 N A:CYS695 3.8 40.8 1.0 N A:CYS715 3.9 31.0 1.0 CA A:CYS695 4.1 37.1 1.0 NE2 A:HIS718 4.2 44.2 1.0 CA A:CYS715 4.2 31.9 1.0 CD2 A:HIS718 4.3 42.1 1.0 CG2 A:THR697 4.3 33.6 1.0 CB A:LYS694 4.5 40.5 1.0 N A:HIS718 4.5 35.7 1.0 CA A:CYS692 4.6 35.5 1.0 CD A:ARG619 4.7 35.0 0.6 O A:CYS715 4.7 31.0 1.0 CA A:HIS718 4.7 37.2 1.0 C A:CYS715 4.7 30.4 1.0 CB A:HIS717 4.8 35.4 1.0 C A:CYS695 4.9 35.8 1.0 C A:LYS694 4.9 43.2 1.0 CG A:ARG619 4.9 40.2 0.4 CD A:ARG619 5.0 38.6 0.4

Zinc binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine.


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 the Catalytic Domain of PLU1 in Complex with N-Oxalylglycine. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1755 b:47.6 occ:1.00 SG A:CYS708 2.3 51.6 1.0 SG A:CYS706 2.3 41.3 1.0 SG A:CYS723 2.4 45.2 1.0 SG A:CYS725 2.5 47.9 1.0 CB A:CYS708 3.1 49.1 1.0 CB A:CYS706 3.3 40.5 1.0 CB A:CYS725 3.3 44.0 1.0 CB A:CYS723 3.4 44.6 1.0 CA A:CYS708 4.2 47.5 1.0 N A:CYS708 4.2 44.0 1.0 N A:CYS725 4.3 47.5 1.0 CE1 A:TYR730 4.3 38.8 1.0 CA A:CYS725 4.4 48.0 1.0 CA A:CYS706 4.6 38.7 1.0 CA A:CYS723 4.8 43.4 1.0 C A:CYS708 4.8 52.0 1.0 N A:LYS709 4.9 51.0 1.0 C A:CYS706 4.9 41.2 1.0 CD1 A:TYR730 4.9 37.5 1.0

V.Srikannathasan, C.Johansson, C.Strain-Damerell, C.Gileadi, A.Szykowska, J.Kopec, T.Krojer, H.Steuber, F.Von Delft, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann. Crystal Structure of PLU1 in Complex with N- Oxalylglycine To Be Published.