Magnesium in PDB 4yh1: Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide

All present enzymatic activity of Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide:
3.1.3.16;

The structure of Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide, PDB code: 4yh1 was solved by J.E.Mayfield, Y.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	125.115, 78.804, 62.853, 90.00, 112.54, 90.00
R / Rfree (%)	19.3 / 24.6

The binding sites of Magnesium atom in the Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide (pdb code 4yh1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide, PDB code: 4yh1:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:52.5 occ:1.00 O06 C:4CG5 1.8 50.7 1.0 OD1 A:ASN96 2.1 27.3 1.0 O A:HOH426 2.2 29.2 1.0 O A:ASP98 2.3 28.9 1.0 O A:HOH450 2.3 34.9 1.0 OD1 A:ASN207 2.5 35.2 1.0 O C:HOH104 2.7 42.3 1.0 CG A:ASN96 3.2 28.1 1.0 P05 C:4CG5 3.2 61.4 1.0 C A:ASP98 3.4 28.2 1.0 CG A:ASN207 3.5 34.4 1.0 ND2 A:ASN96 3.6 24.8 1.0 ND2 A:ASN207 3.8 31.4 1.0 O08 C:4CG5 3.9 52.0 1.0 O07 C:4CG5 3.9 50.1 1.0 OD1 A:ASP206 4.1 26.7 1.0 CA A:ASP98 4.1 29.1 1.0 OE1 A:GLU99 4.1 30.8 1.0 N A:ASP98 4.1 27.4 1.0 OG1 A:THR100 4.1 27.2 1.0 CB A:ASP98 4.2 34.5 1.0 CB A:GLU99 4.3 29.8 1.0 O04 C:4CG5 4.4 68.2 1.0 N A:GLU99 4.5 26.7 1.0 CB A:ASN96 4.5 27.4 1.0 C03 C:4CG5 4.7 71.1 1.0 N A:THR100 4.7 32.5 1.0 CA A:GLU99 4.8 28.1 1.0 CB A:ASN207 4.9 34.9 1.0 C A:LEU97 4.9 24.7 1.0 CG A:ASP206 4.9 28.7 1.0 C A:GLU99 5.0 31.6 1.0 CD A:GLU99 5.0 31.6 1.0

Magnesium binding site 2 out of 2 in the Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Human SCP1 Bound to Cis-Proline Peptidomimetic Ctd Phospho-SER5 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:54.8 occ:1.00 O B:HOH458 1.9 40.4 1.0 O07 D:4CG5 2.0 44.1 1.0 O B:HOH466 2.0 31.0 1.0 O B:ASP98 2.8 22.9 1.0 OD1 B:ASN207 2.8 24.4 1.0 ND2 B:ASN96 2.8 28.0 1.0 ND2 B:ASN207 3.5 24.6 1.0 P05 D:4CG5 3.5 59.6 1.0 CG B:ASN207 3.6 22.5 1.0 C B:ASP98 3.8 22.1 1.0 OE1 B:GLU99 3.9 26.9 1.0 CG B:ASN96 4.0 27.4 1.0 C03 D:4CG5 4.0 63.4 1.0 O06 D:4CG5 4.2 44.9 1.0 O04 D:4CG5 4.2 52.7 1.0 OD1 B:ASN96 4.3 26.6 1.0 CB B:GLU99 4.4 23.5 1.0 OD1 B:ASP206 4.4 24.0 1.0 CB B:ASP98 4.4 24.9 1.0 O08 D:4CG5 4.5 39.1 1.0 CA B:ASP98 4.5 23.3 1.0 N B:GLU99 4.7 22.7 1.0 CB B:SER208 4.8 34.5 1.0 N B:ASP98 4.8 22.8 1.0 CD B:GLU99 4.8 24.8 1.0 OG1 B:THR100 4.9 26.8 1.0 CA B:GLU99 5.0 23.5 1.0

J.E.Mayfield, S.Fan, S.Wei, M.Zhang, B.Li, A.D.Ellington, F.A.Etzkorn, Y.J.Zhang. Chemical Tools to Decipher Regulation of Phosphatases By Proline Isomerization on Eukaryotic Rna Polymerase II. Acs Chem.Biol. V. 10 2405 2015.
ISSN: ESSN 1554-8937
PubMed: 26332362
DOI: 10.1021/ACSCHEMBIO.5B00296