Zinc in PDB 4wpv: Crystal Structure of E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion

All present enzymatic activity of Crystal Structure of E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion:
4.1.1.32;

The structure of Crystal Structure of E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion, PDB code: 4wpv was solved by H.L.Kim, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.81 / 1.67
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.762, 122.281, 63.984, 90.00, 116.88, 90.00
R / Rfree (%)	15.5 / 17.7

The binding sites of Zinc atom in the Crystal Structure of E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion (pdb code 4wpv). 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 E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion, PDB code: 4wpv:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion


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 E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn702 b:14.6 occ:0.47 OD1 A:ASP296 1.9 15.4 1.0 O2 A:PO4704 1.9 14.2 0.8 O1 A:PO4705 1.9 15.4 0.7 NE2 A:HIS249 2.1 13.1 1.0 CG A:ASP296 2.8 14.2 1.0 NZ A:LYS229 2.9 25.9 1.0 CE1 A:HIS249 3.0 15.0 1.0 P A:PO4704 3.0 17.1 0.8 OD2 A:ASP296 3.1 15.7 1.0 CD2 A:HIS249 3.1 12.8 1.0 P A:PO4705 3.1 18.4 0.7 O3 A:PO4704 3.1 19.5 0.8 O2 A:PO4705 3.5 20.4 0.7 O3 A:PO4705 3.8 16.8 0.7 NZ A:LYS275 3.8 19.6 1.0 O4 A:PO4704 3.9 20.3 0.8 O A:HOH1508 3.9 24.4 1.0 O A:HOH1538 4.0 25.8 1.0 CE A:LYS229 4.0 20.8 1.0 ND1 A:HIS249 4.1 12.9 1.0 O1 A:PO4704 4.2 20.1 0.8 CB A:ASP296 4.2 12.0 1.0 CG A:HIS249 4.2 10.9 1.0 ZN A:ZN703 4.3 19.5 0.4 O4 A:PO4705 4.4 19.2 0.7 CA A:ASP296 4.7 11.2 1.0 O A:HOH1507 4.7 23.1 1.0 O A:ASP296 4.7 12.2 1.0 CE A:LYS275 4.8 22.0 1.0 O A:HOH1070 4.9 16.8 1.0 CD A:LYS275 4.9 22.9 1.0 O1 A:PO4707 5.0 21.2 0.5

Zinc binding site 2 out of 2 in the Crystal Structure of E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion


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 E83A Mutant of Mtb Pepck in Complex with ZN2+ and Phosphate Ion within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn703 b:19.5 occ:0.41 O4 A:PO4704 1.8 20.3 0.8 O2 A:PO4708 1.9 20.7 0.6 O2 A:PO4705 1.9 20.4 0.7 O4 A:PO4706 1.9 18.1 0.7 P A:PO4704 3.1 17.1 0.8 P A:PO4705 3.1 18.4 0.7 P A:PO4706 3.2 15.5 0.7 P A:PO4708 3.3 21.3 0.6 O2 A:PO4704 3.3 14.2 0.8 O A:HOH1508 3.5 24.4 1.0 O2 A:PO4706 3.6 18.2 0.7 O4 A:PO4705 3.7 19.2 0.7 O1 A:PO4705 3.7 15.4 0.7 O3 A:PO4708 3.7 21.1 0.6 O1 A:PO4706 3.9 15.3 0.7 O3 A:PO4704 3.9 19.5 0.8 CB A:SER271 3.9 16.6 1.0 O1 A:PO4708 4.0 23.6 0.6 O A:HOH847 4.2 17.6 1.0 O1 A:PO4704 4.2 20.1 0.8 ZN A:ZN702 4.3 14.6 0.5 O3 A:PO4705 4.3 16.8 0.7 O4 A:PO4708 4.3 23.9 0.6 O3 A:PO4706 4.4 15.6 0.7 CA A:SER271 4.4 14.1 1.0 O1 A:PO4707 4.7 21.2 0.5 CG2 A:VAL320 4.8 12.2 1.0 NH1 A:ARG389 5.0 12.8 1.0

H.L.Kim, J.C.Sacchettini. Crystal Structure of E83A From Mtb Pepck in Complex with ZN2+ and Phosphate Ion To Be Published.