Magnesium in PDB 1u6r: Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant

All present enzymatic activity of Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant:
2.7.3.2;

The structure of Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant, PDB code: 1u6r was solved by J.F.Ohren, M.L.Kundracik, C.L.Borders, P.Edmiston, R.E.Viola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.00 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.689, 92.572, 165.553, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 20

The binding sites of Magnesium atom in the Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant (pdb code 1u6r). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant, PDB code: 1u6r:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1802 b:45.0 occ:1.00 O A:HOH2233 2.3 38.1 1.0 O1A A:ADP1801 2.3 37.6 1.0 O A:HOH2174 2.5 32.8 1.0 O3B A:ADP1801 2.5 32.9 1.0 O1B A:ADP1801 3.3 32.8 1.0 PB A:ADP1801 3.3 31.7 1.0 PA A:ADP1801 3.6 37.4 1.0 O3A A:ADP1801 3.7 36.0 1.0 NH2 A:ARG235 3.9 26.4 1.0 O A:HOH2281 4.1 46.8 1.0 O A:HOH1869 4.1 22.4 1.0 O A:HOH2132 4.4 40.9 1.0 O2A A:ADP1801 4.5 36.6 1.0 O A:HOH2119 4.6 30.6 1.0 O2B A:ADP1801 4.7 32.7 1.0 OE2 A:GLU231 4.7 22.0 1.0 CZ A:ARG235 4.7 24.6 1.0 O A:HOH1994 4.7 33.0 1.0 O5' A:ADP1801 4.7 38.7 1.0 C5' A:ADP1801 4.7 40.0 1.0 NE A:ARG235 5.0 22.1 1.0 NH2 A:ARG319 5.0 42.8 1.0

Magnesium binding site 2 out of 2 in the Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Transition State Analog Complex of Muscle Creatine Kinase (R134K) Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1502 b:5.5 occ:1.00 O1B B:ADP1501 2.1 8.2 1.0 O1A B:ADP1501 2.2 6.6 1.0 O B:HOH2218 2.2 9.3 1.0 O B:HOH2219 2.2 9.5 1.0 O B:HOH2217 2.2 7.9 1.0 O3 B:NO31701 2.3 13.4 1.0 N B:NO31701 3.3 16.1 1.0 PB B:ADP1501 3.4 8.4 1.0 PA B:ADP1501 3.4 6.5 1.0 O1 B:NO31701 3.5 15.8 1.0 O3A B:ADP1501 3.6 6.5 1.0 O B:HOH1757 4.0 9.3 1.0 O3B B:ADP1501 4.1 12.0 1.0 O B:HOH1753 4.2 8.7 1.0 NH1 B:ARG235 4.3 8.4 1.0 O B:HOH1754 4.3 9.0 1.0 O2A B:ADP1501 4.4 7.6 1.0 CZ3 B:TRP227 4.4 7.0 1.0 OE2 B:GLU230 4.4 7.6 1.0 OE1 B:GLU230 4.4 7.6 1.0 OE1 B:GLU231 4.4 7.9 1.0 O2B B:ADP1501 4.5 9.2 1.0 O5' B:ADP1501 4.5 6.6 1.0 O B:HOH1719 4.5 7.2 1.0 C5' B:ADP1501 4.6 7.4 1.0 NA B:IOM1601 4.6 8.0 1.0 CH2 B:TRP227 4.6 6.5 1.0 O2 B:NO31701 4.6 15.1 1.0 CG1 B:VAL324 4.8 9.1 1.0 CD B:GLU230 4.9 8.5 1.0 NH1 B:ARG319 4.9 9.3 1.0 O B:HOH1769 4.9 9.7 1.0 NH2 B:ARG235 5.0 8.7 1.0

J.F.Ohren, M.L.Kundracik, C.L.Borders Jr, P.Edmiston, R.E.Viola. Structural Asymmetry and Intersubunit Communication in Muscle Creatine Kinase Acta Crystallogr.,Sect.D V. 63 381 2007.
ISSN: ISSN 0907-4449
PubMed: 17327675
DOI: 10.1107/S0907444906056204