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Magnesium in PDB 1wkl: Crystal Structure of Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 in Complex with Atp and Adp

Enzymatic activity of Crystal Structure of Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 in Complex with Atp and Adp

All present enzymatic activity of Crystal Structure of Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 in Complex with Atp and Adp:
2.7.4.6;

Protein crystallography data

The structure of Crystal Structure of Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 in Complex with Atp and Adp, PDB code: 1wkl was solved by S.Takeishi, N.Nakagawa, R.Masui, S.Kuramitsu, Riken Structuralgenomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.20
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 122.897, 122.897, 105.492, 90.00, 90.00, 120.00
R / Rfree (%) 21.7 / 23.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 in Complex with Atp and Adp (pdb code 1wkl). 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 Crystal Structure of Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 in Complex with Atp and Adp, PDB code: 1wkl:

Magnesium binding site 1 out of 1 in 1wkl

Go back to Magnesium Binding Sites List in 1wkl
Magnesium binding site 1 out of 1 in the Crystal Structure of Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 in Complex with Atp and Adp


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 Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 in Complex with Atp and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg900

b:38.4
occ:1.00
O3G B:ATP856 1.8 43.8 0.3
N B:GLY116 2.8 22.9 1.0
O B:GLY116 3.1 23.1 1.0
NH2 B:ARG85 3.1 38.3 1.0
PG B:ATP856 3.3 43.9 0.3
CE B:MET88 3.3 19.2 1.0
ND1 B:HIS115 3.5 27.2 1.0
O2B B:ATP856 3.5 45.5 0.3
CA B:HIS115 3.5 21.3 1.0
NH2 B:ARG102 3.6 30.3 1.0
C B:HIS115 3.6 22.3 1.0
O3B B:ATP856 3.7 44.3 0.3
CA B:GLY116 3.8 20.2 1.0
C B:GLY116 3.8 21.7 1.0
NH1 B:ARG102 3.9 33.7 1.0
O1G B:ATP856 4.0 43.2 0.3
PB B:ATP856 4.0 44.8 0.3
SD B:MET88 4.1 23.1 1.0
CG B:HIS115 4.1 25.2 1.0
CE1 B:HIS115 4.2 26.7 1.0
CZ B:ARG85 4.2 41.1 1.0
CZ B:ARG102 4.2 32.0 1.0
CB B:HIS115 4.2 22.8 1.0
O2G B:ATP856 4.3 43.5 0.3
O1B B:ATP856 4.4 45.6 0.3
O B:ILE114 4.5 19.7 1.0
N B:HIS115 4.7 20.3 1.0
O B:HIS115 4.8 23.6 1.0
CD B:ARG85 4.9 35.2 1.0
NE B:ARG85 4.9 38.3 1.0
NH1 B:ARG85 4.9 40.3 1.0
C B:ILE114 5.0 20.6 1.0

Reference:

S.Takeishi, N.Nakagawa, R.Masui, S.Kuramitsu. Crystal Structure of Nucleoside Diphosphate Kinase From Thermus Thermophilus HB8 To Be Published.
Page generated: Tue Aug 13 17:21:53 2024

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