Zinc in PDB 2ptx: Crystal Structure of the T. Brucei Enolase Complexed with Sulphate in Closed Conformation

All present enzymatic activity of Crystal Structure of the T. Brucei Enolase Complexed with Sulphate in Closed Conformation:
4.2.1.11;

The structure of Crystal Structure of the T. Brucei Enolase Complexed with Sulphate in Closed Conformation, PDB code: 2ptx was solved by M.V.A.S.Navarro, D.J.Rigden, R.C.Garratt, S.M.G.Dias, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.06 / 1.90
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	74.773, 111.175, 108.983, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 20.7

The binding sites of Zinc atom in the Crystal Structure of the T. Brucei Enolase Complexed with Sulphate in Closed Conformation (pdb code 2ptx). 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 T. Brucei Enolase Complexed with Sulphate in Closed Conformation, PDB code: 2ptx:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the T. Brucei Enolase Complexed with Sulphate in Closed Conformation


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 T. Brucei Enolase Complexed with Sulphate in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:19.9 occ:0.80 O A:SER40 2.1 19.3 1.0 O A:HOH754 2.1 15.4 1.0 O2 A:SO4600 2.2 16.1 1.0 O A:HOH804 2.2 19.0 1.0 O A:HOH1000 2.3 18.2 1.0 OG A:SER40 2.3 16.6 1.0 C A:SER40 3.1 18.9 1.0 CB A:SER40 3.2 19.6 1.0 S A:SO4600 3.3 15.7 1.0 O3 A:SO4600 3.5 18.1 1.0 CA A:SER40 3.6 19.0 1.0 OD2 A:ASP318 3.7 15.1 1.0 NZ A:LYS343 3.8 14.4 1.0 ZN A:ZN501 3.8 24.3 0.9 O1 A:SO4600 3.9 15.7 1.0 OD2 A:ASP319 4.0 17.4 1.0 N A:SER40 4.0 17.9 1.0 OD1 A:ASP319 4.1 20.8 1.0 NH2 A:ARG372 4.1 8.6 1.0 O A:HOH742 4.1 16.3 1.0 NE2 A:GLN164 4.2 16.8 1.0 O A:HOH798 4.3 28.4 1.0 N A:THR41 4.3 18.4 1.0 OE1 A:GLN164 4.3 20.0 1.0 CG A:ASP319 4.5 17.4 1.0 O4 A:SO4600 4.5 15.3 1.0 CD A:GLN164 4.7 17.6 1.0 CA A:THR41 4.8 18.1 1.0 CG A:ASP318 4.8 15.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the T. Brucei Enolase Complexed with Sulphate in Closed Conformation


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 T. Brucei Enolase Complexed with Sulphate in Closed Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:24.3 occ:0.90 OE2 A:GLU291 2.0 15.4 1.0 O A:HOH1000 2.1 18.2 1.0 O A:HOH742 2.1 16.3 1.0 OD2 A:ASP318 2.2 15.1 1.0 OD2 A:ASP243 2.3 17.2 1.0 O A:HOH798 2.6 28.4 1.0 CD A:GLU291 3.2 15.2 1.0 CG A:ASP243 3.2 16.2 1.0 CG A:ASP318 3.2 15.1 1.0 OD1 A:ASP243 3.4 16.7 1.0 CB A:ASP318 3.7 14.7 1.0 O A:HOH754 3.7 15.4 1.0 NZ A:LYS343 3.8 14.4 1.0 NZ A:LYS394 3.8 14.3 1.0 ZN A:ZN500 3.8 19.9 0.8 NE2 A:GLN164 3.9 16.8 1.0 OE1 A:GLU291 3.9 15.2 1.0 O A:HOH804 4.0 19.0 1.0 CG A:GLU291 4.1 15.9 1.0 OD2 A:ASP292 4.1 18.0 1.0 CD2 A:LEU341 4.2 12.6 1.0 OD1 A:ASP318 4.3 16.0 1.0 CB A:ASP243 4.5 16.9 1.0 OE2 A:GLU165 4.6 17.3 1.0 O3 A:SO4600 4.7 18.1 1.0 CB A:ALA245 4.9 19.1 1.0 CE A:LYS343 4.9 13.0 1.0 O2 A:SO4600 5.0 16.1 1.0 CG A:ASP292 5.0 17.8 1.0 CE A:LYS394 5.0 14.4 1.0

M.V.Navarro, S.M.Gomes Dias, L.V.Mello, M.T.Da Silva Giotto, S.Gavalda, C.Blonski, R.C.Garratt, D.J.Rigden. Structural Flexibility in Trypanosoma Brucei Enolase Revealed By X-Ray Crystallography and Molecular Dynamics. Febs J. V. 274 5077 2007.
ISSN: ISSN 1742-464X
PubMed: 17822439
DOI: 10.1111/J.1742-4658.2007.06027.X