Magnesium in PDB 8hp4: Ctpdc Complex

The structure of Ctpdc Complex, PDB code: 8hp4 was solved by H.H.Xu, W.Song, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.78 / 2.52
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.42, 87.55, 118.26, 90, 114.06, 90
R / Rfree (%)	20.7 / 25.4

The binding sites of Magnesium atom in the Ctpdc Complex (pdb code 8hp4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ctpdc Complex, PDB code: 8hp4:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Ctpdc Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ctpdc Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:11.2 occ:1.00 O A:GLY476 2.1 11.5 1.0 O1A A:TPP601 2.1 10.7 1.0 O3B A:TPP601 2.1 11.2 1.0 OD1 A:ASP446 2.1 10.4 1.0 O A:HOH729 2.1 10.3 1.0 OD1 A:ASN474 2.1 11.6 1.0 CG A:ASN474 3.1 11.8 1.0 PB A:TPP601 3.2 11.2 1.0 CG A:ASP446 3.3 10.1 1.0 PA A:TPP601 3.3 10.7 1.0 C A:GLY476 3.3 12.1 1.0 O3A A:TPP601 3.4 10.9 1.0 ND2 A:ASN474 3.4 11.7 1.0 O1B A:TPP601 3.7 11.2 1.0 OD2 A:ASP446 3.8 10.3 1.0 N A:ASP446 3.9 9.9 1.0 N A:THR478 4.1 14.4 1.0 O7 A:TPP601 4.1 10.7 1.0 N A:GLY447 4.1 9.5 1.0 O A:LEU472 4.2 11.2 1.0 N A:GLY476 4.2 12.3 1.0 N A:TYR477 4.2 12.5 1.0 CA A:GLY476 4.3 12.0 1.0 CA A:TYR477 4.4 12.7 1.0 OG1 A:THR478 4.4 14.9 1.0 O2A A:TPP601 4.4 10.6 1.0 CB A:ASN474 4.5 12.2 1.0 CB A:ASP446 4.5 10.1 1.0 CA A:GLY445 4.5 9.7 1.0 N A:ASN474 4.5 12.2 1.0 O2B A:TPP601 4.5 11.1 1.0 O A:HOH721 4.6 10.2 1.0 CA A:ASP446 4.6 10.0 1.0 C A:GLY445 4.6 9.8 1.0 CB A:THR478 4.7 14.8 1.0 C A:TYR477 4.7 13.4 1.0 CA A:ASN474 4.8 12.2 1.0 C A:ASN474 4.8 12.6 1.0 C A:ASP446 4.9 9.7 1.0 CA A:GLY447 4.9 9.5 1.0

Magnesium binding site 2 out of 2 in the Ctpdc Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ctpdc Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:12.2 occ:1.00 O1B B:TPP601 2.1 13.8 1.0 OD1 B:ASN474 2.1 11.8 1.0 O1A B:TPP601 2.1 12.6 1.0 OD1 B:ASP446 2.1 10.7 1.0 O B:GLY476 2.1 13.2 1.0 O B:HOH720 2.1 11.3 1.0 CG B:ASN474 3.1 12.1 1.0 PB B:TPP601 3.1 14.8 1.0 CG B:ASP446 3.3 10.1 1.0 PA B:TPP601 3.3 13.1 1.0 C B:GLY476 3.3 12.6 1.0 ND2 B:ASN474 3.4 12.2 1.0 O3A B:TPP601 3.4 13.8 1.0 O3B B:TPP601 3.5 14.5 1.0 OD2 B:ASP446 3.8 10.1 1.0 N B:ASP446 4.0 9.7 1.0 O7 B:TPP601 4.1 12.4 1.0 N B:THR478 4.1 13.6 1.0 O B:LEU472 4.1 12.0 1.0 N B:GLY447 4.1 9.4 1.0 N B:GLY476 4.2 12.3 1.0 N B:TYR477 4.2 12.4 1.0 CA B:GLY476 4.3 12.5 1.0 CA B:TYR477 4.4 12.6 1.0 O B:HOH707 4.4 15.2 1.0 OG1 B:THR478 4.4 13.1 1.0 CB B:ASN474 4.4 12.0 1.0 CA B:GLY445 4.4 9.7 1.0 N B:ASN474 4.5 11.9 1.0 O2A B:TPP601 4.5 13.0 1.0 O2B B:TPP601 4.5 15.3 1.0 CB B:ASP446 4.5 10.0 1.0 C B:GLY445 4.6 9.6 1.0 CA B:ASP446 4.6 9.7 1.0 CB B:THR478 4.7 13.7 1.0 C B:TYR477 4.8 13.2 1.0 CA B:ASN474 4.8 11.9 1.0 C B:ASN474 4.8 12.0 1.0 C B:ASP446 4.9 9.4 1.0 CA B:GLY447 5.0 9.3 1.0

H.H.Xu, W.Song. Protein Engineering of Pyruvate Decarboxylase to Remove the Rate-Limiting Bottleneck in the Cascade Pathway of Tyrosol Synthesis To Be Published.