Magnesium in PDB 2hw5: The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1

All present enzymatic activity of The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1:
4.2.1.17;

The structure of The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1, PDB code: 2hw5 was solved by A.P.Turnbull, E.Salah, F.Niesen, J.Debreczeni, E.Ugochukwu, A.C.W.Pike, K.Kavanagh, O.Gileadi, F.Gorrec, C.Umeano, F.Von Delft, J.Weigelt, A.Edwards, C.Arrowsmith, M.Sundstrom, U.Oppermann, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.60 / 2.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	91.554, 97.344, 231.796, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 25.2

The binding sites of Magnesium atom in the The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1 (pdb code 2hw5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1, PDB code: 2hw5:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg291 b:80.5 occ:1.00 OE2 C:GLU164 2.7 85.1 1.0 CG C:GLU164 3.3 78.0 1.0 CD C:GLU164 3.5 82.2 1.0 OE1 C:GLU144 3.9 88.5 1.0 N C:GLY141 4.2 78.9 1.0 CB C:ALA98 4.3 76.0 1.0 N C:GLY172 4.4 79.2 1.0 O C:ILE170 4.6 75.8 1.0 CA C:GLY141 4.6 79.0 1.0 CA C:PRO171 4.7 77.5 1.0 OE1 C:GLU164 4.7 84.0 1.0 CE1 B:PHE263 4.7 74.0 1.0 CB C:GLU164 4.8 75.1 1.0 C C:GLY140 4.8 78.5 1.0 CE C:MET103 4.9 76.0 1.0 CD C:GLU144 4.9 83.2 1.0 CG2 C:THR169 5.0 70.8 1.0

Magnesium binding site 2 out of 4 in the The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg291 b:87.4 occ:1.00 OE2 D:GLU164 3.1 85.2 1.0 CG D:GLU164 3.5 78.7 1.0 CD D:GLU164 3.6 82.5 1.0 CB D:ALA98 3.7 75.0 1.0 N D:GLY141 3.9 77.6 1.0 OE1 D:GLU144 4.0 88.3 1.0 CA D:GLY141 4.3 77.7 1.0 N D:ALA98 4.3 75.1 1.0 C D:GLY140 4.6 77.2 1.0 CA D:ALA98 4.7 75.0 1.0 CA D:GLY140 4.7 76.8 1.0 OE1 D:GLU164 4.8 83.5 1.0 N D:GLY172 4.9 80.3 1.0 CA D:PRO171 4.9 78.6 1.0 CB D:GLU164 5.0 76.5 1.0

Magnesium binding site 3 out of 4 in the The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg291 b:87.7 occ:1.00 O D:ALA206 4.0 79.4 1.0 O F:GLN205 4.2 75.7 1.0 O F:ALA206 4.2 74.7 1.0 O A:ALA206 4.2 80.4 1.0 O D:GLN205 4.4 80.3 1.0 O A:GLN205 4.4 80.4 1.0 C F:ALA206 4.4 74.2 1.0 C D:ALA206 4.5 78.9 1.0 CA F:ALA206 4.5 74.2 1.0 C A:ALA206 4.6 80.1 1.0 CA A:ALA206 4.9 80.1 1.0 CA D:ALA206 5.0 79.3 1.0

Magnesium binding site 4 out of 4 in the The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg292 b:0.1 occ:1.00 O C:ALA206 3.5 76.7 1.0 C C:ALA206 3.9 76.7 1.0 O C:GLN205 4.1 78.2 1.0 O B:ALA206 4.1 75.4 1.0 CA C:ALA206 4.3 77.1 1.0 O B:GLN205 4.4 77.2 1.0 O E:ALA206 4.5 77.2 1.0 C B:ALA206 4.6 76.0 1.0 N C:GLY207 4.6 76.4 1.0 O E:GLN205 4.7 78.8 1.0 O C:ALA182 4.7 74.9 1.0 C E:ALA206 5.0 76.9 1.0

A.P.Turnbull, E.Salah, F.Niesen, J.Debreczeni, E.Ugochukwu, A.C.W.Pike, K.Kavanagh, O.Gileadi, F.Gorrec, C.Umeano, F.Von Delft, J.Weigelt, A.Edwards, C.Arrowsmith, M.Sundstrom, U.Oppermann. The Crystal Structure of Human Enoyl-Coenzyme A (Coa) Hydratase Short Chain 1, ECHS1 To Be Published.