Magnesium in PDB 8jb3: Structure and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae

All present enzymatic activity of Structure and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae:
3.1.3.99;

The structure of Structure and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae, PDB code: 8jb3 was solved by S.J.Byun, S.Rhee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.47 / 1.77
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	180.591, 180.591, 90.98, 90, 90, 90
R / Rfree (%)	21.1 / 23.7

The binding sites of Magnesium atom in the Structure and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae (pdb code 8jb3). 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 and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae, PDB code: 8jb3:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:57.0 occ:1.00 O A:HOH773 2.1 63.2 1.0 O3P A:IMP503 2.9 40.4 1.0 NZ A:LYS317 3.0 38.6 1.0 CE A:LYS317 3.4 39.5 1.0 O5' A:IMP503 3.7 49.4 1.0 C8 A:IMP503 3.7 40.2 1.0 P A:IMP503 3.8 45.2 1.0 N7 A:IMP503 3.8 40.2 1.0 CE1 A:TYR212 3.9 36.3 1.0 O2P A:IMP503 4.0 42.8 1.0 OH A:TYR212 4.5 35.9 1.0 O A:HOH693 4.5 45.7 1.0 CH2 A:TRP378 4.6 32.5 1.0 C5' A:IMP503 4.7 47.1 1.0 CZ A:TYR212 4.7 36.4 1.0 CD1 A:TYR212 4.8 29.2 1.0 CZ2 A:TRP378 4.8 35.2 1.0 CD A:LYS317 4.9 35.6 1.0 N9 A:IMP503 4.9 38.4 1.0

Magnesium binding site 2 out of 2 in the Structure and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure and Allosteric Regulation of the Inosine 5'-Monophosphate- Specific Phosphatase ISN1 From Saccharomyces Cerevisiae within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:49.2 occ:1.00 O A:HOH674 2.1 34.4 1.0 O4 A:PO4502 2.1 37.5 1.0 O A:ASP174 2.2 32.3 1.0 OD1 A:ASP411 2.3 40.8 1.0 O A:HOH616 2.5 34.3 1.0 CG A:ASP411 3.3 36.2 1.0 C A:ASP174 3.3 32.7 1.0 P A:PO4502 3.5 34.5 1.0 OD2 A:ASP411 3.6 36.5 1.0 CB A:ALA172 3.8 33.9 1.0 CB A:ASP174 3.9 33.0 1.0 NE2 A:GLN412 3.9 32.1 1.0 CA A:ASP174 3.9 34.4 1.0 O1 A:PO4502 4.0 34.4 1.0 N A:ASP174 4.1 34.2 1.0 OG1 A:THR176 4.2 38.6 1.0 CB A:VAL175 4.3 32.8 1.0 CG A:GLN412 4.3 29.9 1.0 O2 A:PO4502 4.3 31.5 1.0 O A:HOH660 4.4 35.9 1.0 OD2 A:ASP421 4.4 34.1 1.0 N A:VAL175 4.4 33.7 1.0 O3 A:PO4502 4.4 41.4 1.0 CG2 A:VAL175 4.5 33.2 1.0 O A:HOH702 4.5 35.2 1.0 CD A:GLN412 4.6 32.6 1.0 CB A:ASP411 4.6 33.8 1.0 C A:GLY173 4.7 32.6 1.0 N A:ASP411 4.7 30.8 1.0 CA A:VAL175 4.8 36.5 1.0 N A:GLY173 4.8 31.0 1.0 N A:THR176 4.9 35.3 1.0 OD1 A:ASN420 5.0 31.0 1.0

S.Byun, C.Park, J.Y.Suh, C.P.Witte, S.Rhee. Structure, Cooperativity and Inhibition of the Inosine 5'-Monophosphate-Specific Phosphatase From Saccharomyces Cerevisiae. Febs J. 2024.
ISSN: ISSN 1742-464X
PubMed: 38362806
DOI: 10.1111/FEBS.17093