Magnesium in PDB 1p62: Structure of Human Dck Complexed with Gemcitabine and Adp-Mg

All present enzymatic activity of Structure of Human Dck Complexed with Gemcitabine and Adp-Mg:
2.7.1.74;

The structure of Structure of Human Dck Complexed with Gemcitabine and Adp-Mg, PDB code: 1p62 was solved by E.Sabini, S.Ort, C.Monnerjahn, M.Konrad, A.Lavie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	81.200, 81.200, 94.600, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.7

The structure of Structure of Human Dck Complexed with Gemcitabine and Adp-Mg also contains other interesting chemical elements:

Fluorine

(F)

2 atoms

The binding sites of Magnesium atom in the Structure of Human Dck Complexed with Gemcitabine and Adp-Mg (pdb code 1p62). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of Human Dck Complexed with Gemcitabine and Adp-Mg, PDB code: 1p62:

Magnesium binding site 1 out of 1 in the Structure of Human Dck Complexed with Gemcitabine and Adp-Mg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Human Dck Complexed with Gemcitabine and Adp-Mg within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:30.8 occ:1.00 O B:HOH545 1.9 28.8 1.0 O2B B:ADP301 2.2 28.7 1.0 O B:HOH543 2.2 26.2 1.0 OE1 B:GLU127 2.2 29.2 1.0 OG B:SER35 2.2 32.3 1.0 O B:HOH544 2.2 31.8 1.0 CD B:GLU127 3.2 31.0 1.0 CB B:SER35 3.3 33.0 1.0 PB B:ADP301 3.4 25.2 1.0 OE2 B:GLU127 3.5 29.9 1.0 O1B B:ADP301 3.7 28.4 1.0 N B:SER35 3.9 30.6 1.0 CA B:SER35 4.1 32.0 1.0 O B:HOH445 4.2 34.2 1.0 O3B B:ADP301 4.4 23.6 1.0 O2A B:ADP301 4.4 30.1 1.0 O3A B:ADP301 4.5 29.8 1.0 CG B:GLU127 4.5 25.2 1.0 CB B:LYS34 4.7 27.7 1.0 PA B:ADP301 4.8 30.4 1.0 CE B:LYS34 4.8 27.8 1.0 C B:LYS34 4.9 29.6 1.0 O1A B:ADP301 4.9 27.3 1.0 O B:HOH420 4.9 28.0 1.0 NZ B:LYS34 5.0 24.2 1.0

E.Sabini, S.Ort, C.Monnerjahn, M.Konrad, A.Lavie. Structure of Human Dck Suggests Strategies to Improve Anticancer and Antiviral Therapy Nat.Struct.Biol. V. 10 513 2003.
ISSN: ISSN 1072-8368
PubMed: 12808445
DOI: 10.1038/NSB942