Magnesium in PDB 2wgh: Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg.

All present enzymatic activity of Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg.:
1.17.4.1;

The structure of Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg., PDB code: 2wgh was solved by R.M.Welin, M.Moche, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, T.Karlberg, T.Kragh-Nielsen, A.Kotzsch, T.Kotenyova, T.Nyman, C.Persson, J.Sagemark, H.Schueler, P.Schutz, M.I.Siponen, L.Svensson, A.G.Thorsell, L.Tresaugues, S.Van Den Berg, J.Weigelt, M.Wisniewska, P.Nordlund, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.85 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.950, 129.310, 76.670, 90.00, 95.50, 90.00
R / Rfree (%)	19.222 / 25.762

The binding sites of Magnesium atom in the Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg. (pdb code 2wgh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg., PDB code: 2wgh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1744 b:38.4 occ:1.00 O A:HOH2114 1.9 24.2 1.0 O2B A:DTP1745 2.0 26.9 1.0 O1A A:DTP1745 2.0 15.2 1.0 O2G A:DTP1745 2.1 26.6 1.0 O A:HOH2118 2.1 23.1 1.0 O A:HOH2115 2.2 34.2 1.0 PG A:DTP1745 3.1 29.4 1.0 PB A:DTP1745 3.1 23.8 1.0 O3G A:DTP1745 3.2 29.3 1.0 PA A:DTP1745 3.4 22.2 1.0 O3B A:DTP1745 3.6 30.7 1.0 O3A A:DTP1745 3.6 22.7 1.0 O2A A:DTP1745 4.3 21.2 1.0 O A:ASP226 4.3 21.5 1.0 C5' A:DTP1745 4.4 14.2 1.0 O1B A:DTP1745 4.4 27.4 1.0 CB A:SER227 4.4 19.1 1.0 O5' A:DTP1745 4.4 14.3 1.0 O1G A:DTP1745 4.4 29.6 1.0 NH2 A:ARG256 4.5 15.5 1.0

Magnesium binding site 2 out of 2 in the Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Human Ribonucleotide Reductase R1 Subunit (RRM1) in Complex with Datp and Mg. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1746 b:18.5 occ:1.00 O1A B:DTP1745 2.1 19.8 1.0 O2B B:DTP1745 2.1 19.0 1.0 O B:HOH2112 2.1 23.7 1.0 O B:HOH2110 2.1 15.3 1.0 O2G B:DTP1745 2.1 25.4 1.0 O B:HOH2111 2.2 12.0 1.0 PG B:DTP1745 3.1 25.4 1.0 PB B:DTP1745 3.1 22.5 1.0 O3G B:DTP1745 3.3 27.1 1.0 PA B:DTP1745 3.4 21.6 1.0 O3B B:DTP1745 3.6 24.0 1.0 O3A B:DTP1745 3.6 23.0 1.0 O B:HOH2113 3.9 41.8 1.0 O2A B:DTP1745 4.3 25.5 1.0 NH2 B:ARG256 4.3 23.1 1.0 CB B:SER227 4.4 17.8 1.0 C5' B:DTP1745 4.5 19.2 1.0 O B:ASP226 4.5 20.1 1.0 O1G B:DTP1745 4.5 26.9 1.0 O5' B:DTP1745 4.5 18.4 1.0 O1B B:DTP1745 4.6 23.7 1.0

J.W.Fairman, S.R.Wijerathna, M.F.Ahmad, H.Xu, R.Nakano, S.Jha, J.Prendergast, R.M.Welin, S.Flodin, A.Roos, P.Nordlund, Z.Li, T.Walz, C.G.Dealwis. Structural Basis For Allosteric Regulation of Human Ribonucleotide Reductase By Nucleotide- Induced Oligomerization. Nat.Struct.Mol.Biol. V. 18 316 2011.
ISSN: ISSN 1545-9993
PubMed: 21336276
DOI: 10.1038/NSMB.2007