Magnesium in PDB 3hnd: Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp

All present enzymatic activity of Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp:
1.17.4.1;

The structure of Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp, PDB code: 3hnd was solved by J.W.Fairman, S.R.Wijerathna, H.Xu, C.G.Dealwis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.94 / 3.21
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.159, 115.834, 221.305, 90.00, 90.00, 90.00
R / Rfree (%)	18 / 25.4

The binding sites of Magnesium atom in the Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp (pdb code 3hnd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp, PDB code: 3hnd:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:92.0 occ:1.00 O3B A:TTP802 2.0 91.7 1.0 O2A A:TTP802 2.3 88.5 1.0 O3G A:TTP802 2.8 91.9 1.0 PG A:TTP802 3.0 91.4 1.0 PB A:TTP802 3.1 92.7 1.0 O2B A:TTP802 3.3 94.1 1.0 PA A:TTP802 3.4 88.5 1.0 O3A A:TTP802 3.5 90.4 1.0 O1G A:TTP802 3.7 91.3 1.0 O1A A:TTP802 4.2 90.5 1.0 O2G A:TTP802 4.3 88.0 1.0 CB A:SER227 4.3 96.4 1.0 O1B A:TTP802 4.4 93.5 1.0 O5' A:TTP802 4.6 85.9 1.0 O A:ASP226 4.7 99.1 1.0 C5' A:TTP802 4.7 83.8 1.0 NH2 A:ARG256 4.8 85.7 1.0 CA A:SER227 4.9 95.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Ribonucleotide Reductase 1 Bound to the Effector Ttp and Substrate Gdp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg801 b:73.2 occ:1.00 O2A B:TTP802 1.9 81.8 1.0 O3B B:TTP802 2.1 81.0 1.0 O3G B:TTP802 2.9 78.7 1.0 PG B:TTP802 3.0 79.1 1.0 PB B:TTP802 3.3 83.7 1.0 PA B:TTP802 3.3 81.1 1.0 O2B B:TTP802 3.4 85.1 1.0 O1G B:TTP802 3.7 77.2 1.0 O3A B:TTP802 3.7 82.3 1.0 NH2 B:ARG256 4.1 77.0 1.0 O1A B:TTP802 4.2 83.4 1.0 CB B:SER227 4.2 81.6 1.0 O5' B:TTP802 4.3 79.2 1.0 O B:ASP226 4.3 81.4 1.0 O2G B:TTP802 4.3 78.9 1.0 O1B B:TTP802 4.6 82.5 1.0 C5' B:TTP802 4.7 78.1 1.0 CA B:SER227 4.8 80.5 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