Magnesium in PDB 1i14: Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant

All present enzymatic activity of Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant:
2.4.2.8;

The structure of Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant, PDB code: 1i14 was solved by B.Canyuk, P.J.Focia, A.E.Eakin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 1.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.550, 101.860, 51.780, 90.00, 94.19, 90.00
R / Rfree (%)	17.7 / 24.1

The binding sites of Magnesium atom in the Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant (pdb code 1i14). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant, PDB code: 1i14:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg900 b:28.6 occ:1.00 O A:HOH1335 2.0 24.3 1.0 O A:HOH1336 2.1 23.8 1.0 O2 A:PRP801 2.2 32.0 1.0 O3 A:PRP801 2.2 32.9 1.0 O3B A:PRP801 2.3 22.4 1.0 O1 A:PRP801 2.4 29.2 1.0 C2 A:PRP801 3.0 32.6 1.0 C3 A:PRP801 3.0 33.8 1.0 C1 A:PRP801 3.3 30.8 1.0 O3A A:PRP801 3.4 29.1 1.0 PB A:PRP801 3.4 26.5 1.0 OD1 A:ASP112 3.5 28.9 1.0 OE2 A:GLU111 3.5 26.9 1.0 PA A:PRP801 3.6 30.3 1.0 OE1 A:GLU111 3.8 27.0 1.0 O A:LEU51 3.9 17.1 1.0 CD A:GLU111 4.1 23.1 1.0 OD2 A:ASP112 4.2 31.0 1.0 C4 A:PRP801 4.2 35.1 1.0 CG A:ASP112 4.2 28.6 1.0 O4 A:PRP801 4.2 33.5 1.0 N A:GLY53 4.3 14.0 1.0 O2B A:PRP801 4.3 25.6 1.0 O A:VAL50 4.4 16.4 1.0 C A:LEU51 4.4 17.7 1.0 N A:LYS52 4.4 17.5 1.0 O1A A:PRP801 4.5 28.5 1.0 O1B A:PRP801 4.5 21.6 1.0 O2A A:PRP801 4.6 28.0 1.0 CA A:GLY53 4.7 15.0 1.0 CG1 A:VAL50 4.8 13.6 1.0

Magnesium binding site 2 out of 4 in the Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:28.4 occ:1.00 O A:HOH1339 2.0 27.6 1.0 O A:HOH1337 2.0 30.4 1.0 OD1 A:ASP171 2.1 24.0 1.0 O2A A:PRP801 2.1 28.0 1.0 O A:HOH1338 2.2 29.4 1.0 O1B A:PRP801 2.2 21.6 1.0 CG A:ASP171 3.0 21.2 1.0 OD2 A:ASP171 3.3 20.0 1.0 PA A:PRP801 3.5 30.3 1.0 PB A:PRP801 3.5 26.5 1.0 O3A A:PRP801 3.8 29.1 1.0 NH2 A:ARG177 3.9 12.8 1.0 O A:ASP171 4.0 16.9 1.0 O1 A:PRP801 4.1 29.2 1.0 C1 A:PRP801 4.1 30.8 1.0 NH1 A:ARG177 4.3 11.2 1.0 O3B A:PRP801 4.3 22.4 1.0 CB A:ASP171 4.4 14.6 1.0 N3 A:7HP800 4.5 33.4 1.0 N A:ASP171 4.5 10.4 1.0 O2 A:PRP801 4.5 32.0 1.0 CZ A:ARG177 4.5 14.7 1.0 O1A A:PRP801 4.6 28.5 1.0 O2B A:PRP801 4.6 25.6 1.0 C A:ASP171 4.6 20.2 1.0 CA A:ASP171 4.8 14.7 1.0 O A:HOH1071 4.8 31.1 1.0 C2 A:PRP801 4.9 32.6 1.0

Magnesium binding site 3 out of 4 in the Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg912 b:11.7 occ:1.00 O2A B:PRP811 2.0 10.9 1.0 O B:HOH1342 2.1 13.6 1.0 O B:HOH1341 2.1 11.7 1.0 OD1 B:ASP171 2.1 15.3 1.0 O B:HOH1340 2.2 9.1 1.0 O1B B:PRP811 2.2 10.4 1.0 CG B:ASP171 3.1 12.8 1.0 PA B:PRP811 3.1 15.3 1.0 PB B:PRP811 3.3 14.6 1.0 OD2 B:ASP171 3.3 14.5 1.0 O3A B:PRP811 3.4 17.8 1.0 O B:HOH1031 3.7 21.4 1.0 O1 B:PRP811 3.8 13.5 1.0 NH2 B:ARG177 4.1 11.0 1.0 C1 B:PRP811 4.2 12.8 1.0 O3B B:PRP811 4.2 10.1 1.0 O B:ASP171 4.2 16.4 1.0 O B:HOH1022 4.3 16.5 1.0 O2B B:PRP811 4.3 13.6 1.0 O B:HOH1025 4.4 19.8 1.0 NH1 B:ARG177 4.4 12.3 1.0 N3 B:7HP810 4.4 16.3 1.0 O1A B:PRP811 4.4 16.6 1.0 CB B:ASP171 4.5 11.8 1.0 CB B:TYR82 4.5 18.5 1.0 CZ B:ARG177 4.7 11.5 1.0 O B:GLY83 4.7 20.2 1.0 O B:HOH1024 4.7 16.8 1.0 C B:ASP171 4.8 17.1 1.0 N B:ASP171 4.8 11.3 1.0 O2 B:PRP811 4.9 17.4 1.0 CA B:ASP171 5.0 12.1 1.0

Magnesium binding site 4 out of 4 in the Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Analysis of An Invariant Aspartic Acid in Hprts-Glutamic Acid Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg910 b:12.5 occ:1.00 O B:HOH1343 2.0 10.4 1.0 O B:HOH1344 2.0 10.6 1.0 O2 B:PRP811 2.2 17.4 1.0 O3B B:PRP811 2.2 10.1 1.0 O3 B:PRP811 2.2 14.6 1.0 O1 B:PRP811 2.5 13.5 1.0 C2 B:PRP811 3.0 15.1 1.0 C3 B:PRP811 3.1 12.8 1.0 PB B:PRP811 3.3 14.6 1.0 C1 B:PRP811 3.3 12.8 1.0 O3A B:PRP811 3.4 17.8 1.0 PA B:PRP811 3.7 15.3 1.0 OE2 B:GLU111 3.9 13.1 1.0 OE1 B:GLU111 4.0 13.1 1.0 OD1 B:ASP112 4.0 16.0 1.0 O B:HOH1027 4.1 13.9 1.0 C4 B:PRP811 4.1 13.6 1.0 O1B B:PRP811 4.2 10.4 1.0 O4 B:PRP811 4.2 12.3 1.0 O2B B:PRP811 4.2 13.6 1.0 CD B:GLU111 4.4 15.0 1.0 N B:GLY53 4.4 16.0 1.0 O B:VAL50 4.4 10.3 1.0 O B:LEU51 4.4 11.8 1.0 O1A B:PRP811 4.4 16.6 1.0 CG1 B:VAL50 4.5 4.9 1.0 O B:VAL79 4.5 19.3 1.0 O B:HOH1031 4.6 21.4 1.0 O2A B:PRP811 4.7 10.9 1.0 N B:LYS52 4.7 9.8 1.0 CA B:GLY53 4.7 13.8 1.0 C B:LEU51 4.8 10.8 1.0 CG B:ASP112 4.9 14.9 1.0 OD2 B:ASP112 4.9 15.7 1.0 O B:HOH1342 4.9 13.6 1.0

B.Canyuk, P.J.Focia, A.E.Eakin. The Role For An Invariant Aspartic Acid in Hypoxanthine Phosphoribosyltransferases Is Examined Using Saturation Mutagenesis, Functional Analysis, and X-Ray Crystallography. Biochemistry V. 40 2754 2001.
ISSN: ISSN 0006-2960
PubMed: 11258886
DOI: 10.1021/BI001195Q