Zinc in PDB 4n0g: Crystal Structure of PYL13-PP2CA Complex

All present enzymatic activity of Crystal Structure of PYL13-PP2CA Complex:
3.1.3.16;

The structure of Crystal Structure of PYL13-PP2CA Complex, PDB code: 4n0g was solved by W.Li, L.Wang, X.Sheng, C.Yan, R.Zhou, J.Hang, P.Yin, N.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.79 / 2.38
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	111.383, 111.383, 70.410, 90.00, 90.00, 120.00
R / Rfree (%)	21.1 / 24.5

The structure of Crystal Structure of PYL13-PP2CA Complex also contains other interesting chemical elements:

Magnesium

(Mg)

10 atoms

The binding sites of Zinc atom in the Crystal Structure of PYL13-PP2CA Complex (pdb code 4n0g). 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 PYL13-PP2CA Complex, PDB code: 4n0g:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of PYL13-PP2CA Complex


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 PYL13-PP2CA Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:37.3 occ:1.00 SG A:CYS208 2.1 55.6 1.0 ND1 A:HIS148 2.2 31.0 1.0 SG A:CYS146 2.5 27.8 1.0 SG A:CYS210 2.5 41.2 1.0 CB A:CYS146 3.0 27.9 1.0 CE1 A:HIS148 3.1 31.3 1.0 CG A:HIS148 3.3 30.6 1.0 CB A:CYS210 3.4 42.0 1.0 N A:CYS210 3.6 43.1 1.0 CB A:HIS148 3.6 29.7 1.0 CB A:CYS208 3.8 55.3 1.0 CA A:CYS210 3.9 43.4 1.0 N A:HIS148 4.2 30.3 1.0 NE2 A:HIS148 4.2 31.4 1.0 N A:GLU211 4.3 57.8 1.0 C A:CYS210 4.3 43.5 1.0 N A:LEU212 4.3 51.4 1.0 CD2 A:HIS148 4.4 30.4 1.0 N A:ARG209 4.4 67.4 1.0 CD1 A:LEU212 4.4 49.1 1.0 CA A:CYS146 4.4 27.7 1.0 CA A:HIS148 4.6 30.6 1.0 N A:SER147 4.6 39.2 1.0 C A:CYS208 4.6 56.4 1.0 CA A:CYS208 4.6 56.1 1.0 C A:ARG209 4.7 68.5 1.0 C A:CYS146 4.9 27.7 1.0 CG2 A:VAL220 4.9 31.9 1.0 CA A:ARG209 5.0 67.9 1.0 CA A:LEU212 5.0 51.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of PYL13-PP2CA Complex


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 PYL13-PP2CA Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn401 b:35.5 occ:1.00 SG B:CYS210 2.1 43.7 1.0 SG B:CYS208 2.1 45.7 1.0 ND1 B:HIS148 2.2 32.8 1.0 SG B:CYS146 2.4 27.7 1.0 CB B:CYS146 3.0 27.3 1.0 CB B:CYS210 3.1 43.9 1.0 CG B:HIS148 3.2 32.6 1.0 CE1 B:HIS148 3.2 32.9 1.0 N B:CYS210 3.4 45.7 1.0 CB B:HIS148 3.5 31.8 1.0 CA B:CYS210 3.7 45.5 1.0 CB B:CYS208 3.9 45.8 1.0 N B:GLU211 4.1 61.6 1.0 N B:HIS148 4.1 32.0 1.0 N B:ARG209 4.2 70.1 1.0 C B:CYS210 4.2 46.3 1.0 NE2 B:HIS148 4.3 33.0 1.0 CD2 B:HIS148 4.3 32.6 1.0 N B:LEU212 4.4 46.4 1.0 CA B:HIS148 4.4 32.7 1.0 CA B:CYS146 4.5 26.7 1.0 C B:ARG209 4.5 71.4 1.0 CA B:CYS208 4.6 46.6 1.0 C B:CYS208 4.6 46.4 1.0 N B:SER147 4.6 36.5 1.0 CD2 B:LEU212 4.7 44.5 1.0 CA B:ARG209 4.8 70.8 1.0 C B:CYS146 4.9 27.0 1.0

W.Li, L.Wang, X.Sheng, C.Yan, R.Zhou, J.Hang, P.Yin, N.Yan. Molecular Basis For the Selective and Aba-Independent Inhibition of PP2CA By PYL13 Cell Res. V. 23 1369 2013.
ISSN: ISSN 1001-0602
PubMed: 24165892
DOI: 10.1038/CR.2013.143