Magnesium in PDB 6xef: Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate

All present enzymatic activity of Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate:
3.1.3.48;

The structure of Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate, PDB code: 6xef was solved by K.J.Olsen, R.Shen, S.J.Johnson, A.C.Hengge, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.19 / 2.05
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	88.384, 88.384, 104.879, 90, 90, 120
R / Rfree (%)	18.1 / 20.3

The structure of Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate also contains other interesting chemical elements:

Vanadium

(V)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate (pdb code 6xef). 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 the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate, PDB code: 6xef:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate


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 the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:53.3 occ:1.00 O A:PRO89 2.5 43.7 1.0 N A:CYS92 3.0 41.9 1.0 O A:HOH613 3.1 55.1 1.0 C A:ASN90 3.2 45.6 1.0 C A:PRO89 3.4 48.1 1.0 N A:THR91 3.5 38.1 1.0 CA A:ASN90 3.5 42.9 1.0 CB A:CYS92 3.5 38.3 1.0 N A:GLY93 3.5 36.0 1.0 O A:HOH551 3.5 41.0 1.0 C3 A:BEN405 3.6 67.5 0.9 O A:ASN90 3.6 44.0 1.0 CA A:CYS92 3.7 36.9 1.0 N A:ASN90 3.8 42.2 1.0 C2 A:BEN405 3.9 67.3 0.9 C A:THR91 3.9 40.6 1.0 C A:CYS92 4.1 37.3 1.0 CA A:THR91 4.1 37.9 1.0 SG A:CYS92 4.2 42.4 1.0 O A:LEU88 4.3 37.9 1.0 C4 A:BEN405 4.5 67.3 0.9 CA A:PRO89 4.6 40.0 1.0 CA A:GLY93 4.7 40.8 1.0 C1 A:BEN405 4.9 66.7 0.9 CB A:ASN90 4.9 45.5 1.0 O A:THR91 5.0 37.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate


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 the PTP1B Yoph Wpd Loop Chimera 4 Bound to Vanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:73.6 occ:1.00 OD1 A:ASN90 2.6 45.2 1.0 O A:HOH622 2.8 54.7 1.0 CG A:ASN90 3.4 48.4 1.0 CB A:LEU88 3.6 35.8 1.0 CD A:PRO89 3.7 40.2 1.0 O A:ASN42 4.1 45.8 1.0 ND2 A:ASN90 4.1 44.5 1.0 N A:ASN90 4.2 42.2 1.0 CD2 A:LEU88 4.2 37.7 1.0 N A:PRO89 4.2 44.2 1.0 CG A:LEU88 4.3 40.4 1.0 CB A:ASN90 4.3 45.5 1.0 CD1 A:LEU88 4.3 41.4 1.0 CG A:PRO89 4.5 43.3 1.0 CA A:LEU88 4.7 38.2 1.0 CB A:PRO89 4.8 42.0 1.0 C A:LEU88 4.8 40.5 1.0 CA A:ASN90 4.9 42.9 1.0 CA A:PRO89 4.9 40.0 1.0

R.Shen, K.J.Olsen, S.J.Johnson, A.C.Hengge. Insights From PTP1B Yoph Chimeras Into the Importance of Wpd-Loop Sequence For Activity and Structure in Protein Tyrosine Phosphatases To Be Published.