Magnesium in PDB 8ujm: Crystal Structure of Human CTDNEP1-NEP1R1 Protein Phosphatase Complex with Magnesium

The structure of Crystal Structure of Human CTDNEP1-NEP1R1 Protein Phosphatase Complex with Magnesium, PDB code: 8ujm was solved by S.Gao, M.V.Airola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.45 / 2.16
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.405, 102.953, 57.244, 90, 118.2, 90
R / Rfree (%)	19.7 / 22.1

The binding sites of Magnesium atom in the Crystal Structure of Human CTDNEP1-NEP1R1 Protein Phosphatase Complex with Magnesium (pdb code 8ujm). 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 Human CTDNEP1-NEP1R1 Protein Phosphatase Complex with Magnesium, PDB code: 8ujm:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human CTDNEP1-NEP1R1 Protein Phosphatase Complex with Magnesium


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 Human CTDNEP1-NEP1R1 Protein Phosphatase Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:34.5 occ:1.00 O A:HOH555 2.0 34.1 1.0 OD2 A:ASP29 2.0 29.2 1.0 OD1 A:ASN149 2.1 34.5 1.0 O A:HOH501 2.1 37.3 1.0 O A:ASP31 2.2 30.0 1.0 O A:HOH528 2.3 34.7 1.0 CG A:ASP29 3.0 29.9 1.0 HG1 A:THR33 3.2 34.9 1.0 CG A:ASN149 3.2 31.2 1.0 OD1 A:ASP29 3.4 32.4 1.0 C A:ASP31 3.4 29.5 1.0 HD21 A:ASN149 3.4 44.4 1.0 HB2 A:GLU32 3.5 39.7 1.0 HB2 A:ASP31 3.7 40.7 1.0 ND2 A:ASN149 3.7 36.9 1.0 HG A:SER150 3.7 55.1 1.0 OD1 A:ASP148 3.8 33.1 1.0 OG A:SER150 3.8 45.8 1.0 H A:ASN149 3.8 36.8 1.0 OG1 A:THR33 3.9 29.0 1.0 O A:HOH595 4.1 42.2 1.0 H A:ASP31 4.2 34.0 1.0 CA A:ASP31 4.2 34.1 1.0 OE1 A:GLU32 4.2 40.0 1.0 N A:ASP31 4.2 28.2 1.0 CB A:ASP29 4.3 28.8 1.0 HB3 A:ASP29 4.3 34.6 1.0 CB A:ASP31 4.3 33.8 1.0 H A:THR33 4.3 32.6 1.0 H A:SER150 4.3 39.8 1.0 CB A:GLU32 4.4 33.0 1.0 N A:GLU32 4.4 30.9 1.0 CB A:ASN149 4.5 31.7 1.0 HB3 A:ASP31 4.5 40.7 1.0 N A:THR33 4.6 27.1 1.0 HD22 A:ASN149 4.6 44.4 1.0 HZ2 A:LYS132 4.6 42.9 1.0 O A:HOH558 4.6 24.4 1.0 HB3 A:ASN149 4.6 38.1 1.0 N A:ASN149 4.6 30.6 1.0 HB2 A:ASP29 4.6 34.6 1.0 HB A:THR33 4.7 35.8 1.0 CG A:ASP148 4.7 33.5 1.0 C A:GLU32 4.7 27.8 1.0 CA A:GLU32 4.7 28.9 1.0 HZ3 A:LYS132 4.8 42.9 1.0 N A:SER150 4.8 33.1 1.0 O A:HOH510 4.8 28.2 1.0 H A:LEU30 4.8 32.8 1.0 HB3 A:GLU32 4.9 39.7 1.0 CB A:THR33 4.9 29.8 1.0 C A:LEU30 4.9 30.4 1.0 HB2 A:SER150 4.9 43.4 1.0 CB A:SER150 5.0 36.1 1.0 CA A:ASN149 5.0 35.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human CTDNEP1-NEP1R1 Protein Phosphatase Complex with Magnesium


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 Human CTDNEP1-NEP1R1 Protein Phosphatase Complex with Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:36.0 occ:1.00 O B:HOH542 2.0 33.9 1.0 OD1 B:ASN149 2.0 34.4 1.0 O B:HOH537 2.1 37.0 1.0 OD2 B:ASP29 2.1 31.7 1.0 O B:HOH528 2.1 40.7 1.0 O B:ASP31 2.2 27.8 1.0 CG B:ASN149 3.1 31.3 1.0 CG B:ASP29 3.2 31.7 1.0 HG1 B:THR33 3.2 35.0 1.0 HD21 B:ASN149 3.3 35.9 1.0 HB2 B:GLU32 3.3 40.7 1.0 C B:ASP31 3.4 30.1 1.0 ND2 B:ASN149 3.6 29.8 1.0 OD1 B:ASP29 3.6 28.2 1.0 HB2 B:ASP31 3.7 44.1 1.0 OD1 B:ASP148 3.8 35.0 1.0 H B:ASN149 4.0 38.0 1.0 OG1 B:THR33 4.0 29.1 1.0 OE1 B:GLU32 4.1 41.4 1.0 HB3 B:SER150 4.1 51.2 1.0 CB B:GLU32 4.2 33.8 1.0 CA B:ASP31 4.2 31.3 1.0 H B:ASP31 4.3 35.7 1.0 N B:ASP31 4.3 29.7 1.0 CB B:ASP31 4.4 36.7 1.0 H B:SER150 4.4 40.7 1.0 H B:THR33 4.4 33.7 1.0 N B:GLU32 4.4 27.4 1.0 CB B:ASN149 4.4 31.7 1.0 HB2 B:SER150 4.4 51.2 1.0 HB3 B:ASP29 4.4 33.2 1.0 CB B:ASP29 4.4 27.6 1.0 HD22 B:ASN149 4.4 35.9 1.0 HB3 B:ASN149 4.5 38.2 1.0 N B:THR33 4.6 28.0 1.0 HB3 B:ASP31 4.6 44.1 1.0 CA B:GLU32 4.6 29.6 1.0 C B:GLU32 4.6 30.0 1.0 HB3 B:GLU32 4.7 40.7 1.0 HB B:THR33 4.7 33.9 1.0 N B:ASN149 4.7 31.5 1.0 HZ3 B:LYS132 4.7 41.0 1.0 CB B:SER150 4.7 42.6 1.0 N B:SER150 4.7 33.9 1.0 O B:HOH552 4.7 29.2 1.0 CG B:ASP148 4.7 35.8 1.0 HB2 B:ASP29 4.8 33.2 1.0 H B:LEU30 4.9 38.6 1.0 CB B:THR33 4.9 28.1 1.0 CD B:GLU32 4.9 37.7 1.0 C B:LEU30 4.9 29.6 1.0 HZ1 B:LYS132 5.0 41.0 1.0 O B:HOH521 5.0 31.4 1.0 CA B:ASN149 5.0 32.5 1.0

S.Gao, J.W.Carrasquillo-Rodriguez, S.Bahmanyar, M.V.Airola. Structure and Mechanism of the Human CTDNEP1-NEP1R1 Protein Phosphatase Complex Necessary to Maintain Er Membrane Morphology To Be Published.