Magnesium in PDB 4ig1: Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form

All present enzymatic activity of Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form:
2.7.1.180;

The structure of Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form, PDB code: 4ig1 was solved by D.R.Tomchick, C.A.Brautigam, R.K.Deka, M.V.Norgard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.56 / 1.43
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	116.998, 46.890, 57.471, 90.00, 102.49, 90.00
R / Rfree (%)	17.7 / 21.1

The binding sites of Magnesium atom in the Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form (pdb code 4ig1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form, PDB code: 4ig1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:15.0 occ:1.00 O A:ASP284 2.3 13.5 1.0 OG1 A:THR288 2.3 13.3 1.0 OD1 A:ASP284 2.3 14.1 1.0 O1P A:AMP501 2.3 16.5 1.0 O A:ALA162 2.4 14.2 1.0 HG1 A:THR288 2.6 16.0 1.0 HB1 A:ALA162 3.0 17.4 1.0 C A:ASP284 3.0 13.6 1.0 HA A:ALA162 3.1 18.0 1.0 MG A:MG503 3.1 16.5 1.0 CG A:ASP284 3.2 11.9 1.0 C A:ALA162 3.3 12.3 1.0 H A:THR288 3.4 14.9 1.0 HA A:ASP284 3.4 16.2 1.0 P A:AMP501 3.4 16.3 1.0 O A:HOH601 3.5 18.8 1.0 HG A:SER240 3.5 22.3 1.0 CA A:ALA162 3.5 15.0 1.0 CB A:THR288 3.6 12.7 1.0 CA A:ASP284 3.6 13.5 1.0 O2P A:AMP501 3.6 16.1 1.0 CB A:ALA162 3.7 14.5 1.0 HB A:THR288 3.7 15.2 1.0 HB3 A:ALA287 3.7 16.5 1.0 OG A:SER240 3.9 18.6 1.0 HA A:ALA285 3.9 14.7 1.0 CB A:ASP284 3.9 11.2 1.0 N A:THR288 4.0 12.4 1.0 O A:HOH604 4.0 17.9 1.0 O5' A:AMP501 4.0 17.6 1.0 N A:ALA285 4.0 12.6 1.0 OD2 A:ASP284 4.0 14.2 1.0 HB3 A:ASP284 4.2 13.4 1.0 HB2 A:ALA162 4.2 17.4 1.0 CA A:THR288 4.3 15.1 1.0 CA A:ALA285 4.4 12.3 1.0 HA A:ILE163 4.4 14.6 1.0 HB3 A:ALA162 4.4 17.4 1.0 HG11 A:VAL238 4.5 19.4 1.0 N A:ILE163 4.5 12.3 1.0 HA A:THR288 4.5 18.1 1.0 HG21 A:THR288 4.7 18.1 1.0 CB A:ALA287 4.7 13.8 1.0 CG2 A:THR288 4.7 15.1 1.0 O3P A:AMP501 4.7 19.7 1.0 H A:ALA285 4.7 15.2 1.0 H A:ALA287 4.7 14.8 1.0 HB2 A:ASP284 4.7 13.4 1.0 HG12 A:VAL238 4.8 19.4 1.0 HE2 A:PHE97 4.8 20.0 1.0 C A:ALA285 4.8 12.5 1.0 O A:HOH602 4.8 16.9 1.0 O A:HOH603 4.9 20.2 1.0 O A:ALA285 4.9 13.5 1.0 HG23 A:THR288 4.9 18.1 1.0 C A:ALA287 4.9 12.2 1.0 N A:ALA162 4.9 14.3 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Treponema Pallidum TP0796 Flavin Trafficking Protein, Mg(II)-Amp Product Bound Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:16.5 occ:1.00 O A:HOH602 2.0 16.9 1.0 O1P A:AMP501 2.1 16.5 1.0 O A:HOH601 2.1 18.8 1.0 O A:HOH603 2.1 20.2 1.0 OD1 A:ASP284 2.1 14.1 1.0 O A:HOH604 2.1 17.9 1.0 CG A:ASP284 3.1 11.9 1.0 MG A:MG502 3.1 15.0 1.0 P A:AMP501 3.3 16.3 1.0 OD2 A:ASP284 3.4 14.2 1.0 HZ1 A:LYS165 3.5 28.2 1.0 O3P A:AMP501 3.6 19.7 1.0 HE2 A:LYS165 3.6 22.5 1.0 HG11 A:VAL238 3.8 19.4 1.0 HG13 A:VAL238 3.9 19.4 1.0 HA A:ALA162 3.9 18.0 1.0 HG12 A:VAL238 4.0 19.4 1.0 O A:HOH688 4.0 26.3 1.0 CG1 A:VAL238 4.1 16.2 1.0 HZ3 A:LYS165 4.1 28.2 1.0 NZ A:LYS165 4.1 23.5 1.0 O A:HOH852 4.1 36.7 1.0 HA A:ASP284 4.2 16.2 1.0 HB2 A:LYS165 4.3 17.3 1.0 CE A:LYS165 4.3 18.8 1.0 O5' A:AMP501 4.3 17.6 1.0 O A:ALA162 4.4 14.2 1.0 O2P A:AMP501 4.4 16.1 1.0 OD1 A:ASN191 4.4 16.9 1.0 CB A:ASP284 4.4 11.2 1.0 O A:HOH735 4.5 34.1 1.0 OG A:SER240 4.5 18.6 1.0 O A:GLY161 4.5 15.3 1.0 HE3 A:LYS165 4.6 22.5 1.0 C A:ALA162 4.7 12.3 1.0 HG A:SER240 4.7 22.3 1.0 HG1 A:THR288 4.7 16.0 1.0 O A:THR239 4.7 15.7 1.0 HB2 A:ASN191 4.7 18.6 1.0 CA A:ALA162 4.8 15.0 1.0 CA A:ASP284 4.8 13.5 1.0 HB2 A:ASP284 4.8 13.4 1.0 O A:ASP284 4.9 13.5 1.0 HZ2 A:LYS165 4.9 28.2 1.0 OG1 A:THR288 4.9 13.3 1.0

R.K.Deka, C.A.Brautigam, W.Z.Liu, D.R.Tomchick, M.V.Norgard. The TP0796 Lipoprotein of Treponema Pallidum Is A Bimetal-Dependent Fad Pyrophosphatase with A Potential Role in Flavin Homeostasis. J.Biol.Chem. V. 288 11106 2013.
ISSN: ISSN 0021-9258
PubMed: 23447540
DOI: 10.1074/JBC.M113.449975