Magnesium in PDB 1i13: Analysis of An Invariant Aspartic Acid in Hprts-Alanine Mutant

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

The structure of Analysis of An Invariant Aspartic Acid in Hprts-Alanine Mutant, PDB code: 1i13 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 / 1.84
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.450, 102.250, 52.000, 90.00, 94.11, 90.00
R / Rfree (%)	19.2 / 25.2

The binding sites of Magnesium atom in the Analysis of An Invariant Aspartic Acid in Hprts-Alanine Mutant (pdb code 1i13). 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-Alanine Mutant, PDB code: 1i13:
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-Alanine 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-Alanine Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg900 b:27.2 occ:1.00 O A:HOH5502 2.1 20.6 1.0 O A:HOH5503 2.2 25.7 1.0 O3B A:PRP801 2.3 14.8 1.0 O2 A:PRP801 2.3 29.4 1.0 O3 A:PRP801 2.3 32.8 1.0 O1 A:PRP801 2.6 24.1 1.0 C2 A:PRP801 3.0 30.0 1.0 C3 A:PRP801 3.0 29.9 1.0 PB A:PRP801 3.4 14.8 1.0 C1 A:PRP801 3.4 27.9 1.0 O3A A:PRP801 3.5 19.2 1.0 OE2 A:GLU111 3.7 25.1 1.0 OD1 A:ASP112 3.8 29.5 1.0 PA A:PRP801 3.8 20.4 1.0 O A:LEU51 3.9 14.5 1.0 OD2 A:ASP112 4.1 37.9 1.0 N A:GLY53 4.2 15.6 1.0 C4 A:PRP801 4.2 31.8 1.0 O2B A:PRP801 4.3 13.1 1.0 OE1 A:GLU111 4.3 30.9 1.0 CG A:ASP112 4.3 29.8 1.0 N A:LYS52 4.3 11.1 1.0 O1B A:PRP801 4.4 10.5 1.0 C A:LEU51 4.4 12.8 1.0 O4 A:PRP801 4.4 28.3 1.0 CD A:GLU111 4.4 25.8 1.0 O A:HOH1024 4.4 48.9 1.0 O A:VAL50 4.5 12.3 1.0 CA A:GLY53 4.5 13.8 1.0 O2A A:PRP801 4.6 16.1 1.0 O1A A:PRP801 4.8 17.4 1.0 CG1 A:VAL50 4.8 10.5 1.0 O A:HOH5506 5.0 12.7 1.0

Magnesium binding site 2 out of 4 in the Analysis of An Invariant Aspartic Acid in Hprts-Alanine 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-Alanine Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg902 b:13.8 occ:1.00 O A:HOH5506 2.0 12.7 1.0 O A:HOH5504 2.0 15.1 1.0 O1B A:PRP801 2.1 10.5 1.0 OD1 A:ASP171 2.1 14.7 1.0 O A:HOH5505 2.1 16.0 1.0 O2A A:PRP801 2.1 16.1 1.0 CG A:ASP171 3.0 14.8 1.0 PA A:PRP801 3.3 20.4 1.0 OD2 A:ASP171 3.3 15.6 1.0 PB A:PRP801 3.4 14.8 1.0 O3A A:PRP801 3.7 19.2 1.0 O A:HOH1057 3.9 59.7 1.0 O1 A:PRP801 4.0 24.1 1.0 NH2 A:ARG177 4.1 10.4 1.0 NH1 A:ARG177 4.1 8.5 1.0 C1 A:PRP801 4.1 27.9 1.0 O A:ASP171 4.1 15.2 1.0 O3B A:PRP801 4.2 14.8 1.0 O A:HOH5200 4.3 35.8 1.0 CB A:ASP171 4.4 11.1 1.0 N3 A:7HP800 4.4 22.2 1.0 O2B A:PRP801 4.4 13.1 1.0 O1A A:PRP801 4.5 17.4 1.0 CZ A:ARG177 4.5 11.4 1.0 N A:ASP171 4.5 9.1 1.0 O A:HOH1048 4.5 24.1 1.0 O2 A:PRP801 4.5 29.4 1.0 C A:ASP171 4.7 16.4 1.0 O A:HOH3020 4.7 37.9 1.0 CA A:ASP171 4.8 14.0 1.0 C2 A:PRP801 5.0 30.0 1.0

Magnesium binding site 3 out of 4 in the Analysis of An Invariant Aspartic Acid in Hprts-Alanine 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-Alanine Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg912 b:10.2 occ:1.00 O2A B:PRP811 2.0 12.0 1.0 O B:HOH5508 2.0 10.5 1.0 O B:HOH5509 2.1 9.5 1.0 O B:HOH5507 2.1 11.1 1.0 OD1 B:ASP171 2.2 16.3 1.0 O1B B:PRP811 2.2 8.4 1.0 CG B:ASP171 3.2 14.9 1.0 PA B:PRP811 3.2 14.5 1.0 PB B:PRP811 3.4 13.2 1.0 OD2 B:ASP171 3.4 16.0 1.0 O3A B:PRP811 3.5 15.9 1.0 O B:HOH1071 3.6 17.5 1.0 O1 B:PRP811 3.9 13.3 1.0 NH2 B:ARG177 4.0 16.6 1.0 O B:ASP171 4.1 18.2 1.0 C1 B:PRP811 4.1 14.1 1.0 O B:HOH1084 4.2 21.6 1.0 O B:HOH1068 4.3 20.6 1.0 O3B B:PRP811 4.3 10.1 1.0 N3 B:7HP810 4.3 13.4 1.0 NH1 B:ARG177 4.3 14.2 1.0 O2B B:PRP811 4.4 12.7 1.0 O1A B:PRP811 4.4 15.5 1.0 CB B:TYR82 4.5 17.4 1.0 CB B:ASP171 4.5 16.3 1.0 CZ B:ARG177 4.6 17.3 1.0 O B:GLY83 4.6 18.7 1.0 C B:ASP171 4.7 17.6 1.0 N B:ASP171 4.7 14.0 1.0 O2 B:PRP811 4.8 12.2 1.0 O B:HOH1067 4.8 27.0 1.0 CA B:ASP171 4.9 13.9 1.0 C2 B:7HP810 5.0 13.4 1.0

Magnesium binding site 4 out of 4 in the Analysis of An Invariant Aspartic Acid in Hprts-Alanine 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-Alanine Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg910 b:10.7 occ:1.00 O B:HOH5511 2.1 15.4 1.0 O B:HOH5510 2.1 9.3 1.0 O3B B:PRP811 2.1 10.1 1.0 O2 B:PRP811 2.1 12.2 1.0 O3 B:PRP811 2.1 13.8 1.0 O1 B:PRP811 2.4 13.3 1.0 C2 B:PRP811 3.0 10.5 1.0 C3 B:PRP811 3.0 11.7 1.0 C1 B:PRP811 3.2 14.1 1.0 PB B:PRP811 3.2 13.2 1.0 O3A B:PRP811 3.3 15.9 1.0 PA B:PRP811 3.5 14.5 1.0 O B:HOH1070 4.0 14.5 1.0 OE2 B:GLU111 4.0 13.5 1.0 C4 B:PRP811 4.1 13.0 1.0 O1B B:PRP811 4.1 8.4 1.0 O4 B:PRP811 4.1 12.2 1.0 OD1 B:ASP112 4.2 12.5 1.0 OE1 B:GLU111 4.2 15.5 1.0 O2B B:PRP811 4.2 12.7 1.0 N B:GLY53 4.3 11.3 1.0 O B:HOH1071 4.3 17.5 1.0 O1A B:PRP811 4.3 15.5 1.0 O B:LEU51 4.4 15.2 1.0 O B:VAL79 4.5 14.0 1.0 O B:VAL50 4.5 11.0 1.0 CG1 B:VAL50 4.5 9.7 1.0 O2A B:PRP811 4.5 12.0 1.0 CD B:GLU111 4.6 14.9 1.0 CA B:GLY53 4.6 12.0 1.0 N B:LYS52 4.7 11.8 1.0 C B:LEU51 4.7 12.5 1.0 O B:HOH5509 5.0 9.5 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