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Magnesium in PDB 3t99: Crystal Structure of the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0

Enzymatic activity of Crystal Structure of the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0:
2.7.4.24;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0, PDB code: 3t99 was solved by H.Wang, J.Falck, T.M.T.Hall, S.B.Shears, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.10
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 90.974, 110.000, 41.701, 90.00, 90.00, 90.00
R / Rfree (%) 22.9 / 27.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0 (pdb code 3t99). 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 the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0, PDB code: 3t99:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3t99

Go back to Magnesium Binding Sites List in 3t99
Magnesium binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0


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 the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:32.7
occ:1.00
O A:HOH443 1.9 32.5 1.0
O2A A:ADP401 1.9 26.6 1.0
O A:HOH444 2.1 21.6 1.0
O3B A:ADP401 2.1 25.7 1.0
OD2 A:ASP309 2.1 25.7 1.0
OD2 A:ASP321 2.2 25.4 1.0
CG A:ASP321 3.1 24.7 1.0
PB A:ADP401 3.2 21.3 1.0
PA A:ADP401 3.3 26.7 1.0
CG A:ASP309 3.4 25.8 1.0
CB A:ASP321 3.5 24.5 1.0
O3A A:ADP401 3.6 25.6 1.0
MG A:MG602 3.8 24.3 1.0
O2B A:ADP401 3.9 23.7 1.0
O A:HOH446 4.0 28.6 1.0
O3' A:ADP401 4.1 22.9 1.0
OD1 A:ASP309 4.1 29.8 1.0
OD1 A:ASP321 4.1 24.9 1.0
NZ A:LYS248 4.2 31.8 1.0
O5' A:ADP401 4.2 27.8 1.0
ND2 A:ASN323 4.2 25.0 1.0
C5' A:ADP401 4.2 24.3 1.0
O A:HOH471 4.3 46.9 1.0
O1A A:ADP401 4.4 26.5 1.0
CB A:ASP309 4.4 25.0 1.0
O1B A:ADP401 4.6 25.2 1.0
C3' A:ADP401 4.6 23.4 1.0
OD1 A:ASN323 4.9 25.9 1.0
C4' A:ADP401 5.0 22.8 1.0

Magnesium binding site 2 out of 2 in 3t99

Go back to Magnesium Binding Sites List in 3t99
Magnesium binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0


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 the Catalytic Domain of Human Diphosphoinositol Pentakisphosphate Kinase 2 (PPIP5K2) in Complex with Adp and in the Absence of Cadmium at pH 7.0 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:24.3
occ:1.00
O A:HOH446 1.9 28.6 1.0
O A:HOH445 1.9 18.7 1.0
OD1 A:ASN323 2.0 25.9 1.0
O2B A:ADP401 2.1 23.7 1.0
OD1 A:ASP321 2.1 24.9 1.0
OD2 A:ASP321 2.2 25.4 1.0
CG A:ASP321 2.4 24.7 1.0
CG A:ASN323 3.0 26.3 1.0
PB A:ADP401 3.2 21.3 1.0
O3B A:ADP401 3.2 25.7 1.0
ND2 A:ASN323 3.4 25.0 1.0
O A:HOH443 3.7 32.5 1.0
MG A:MG601 3.8 32.7 1.0
CB A:ASP321 4.0 24.5 1.0
O A:HOH484 4.0 41.9 1.0
NH1 A:ARG134 4.1 26.6 0.5
O3A A:ADP401 4.2 25.6 1.0
O1B A:ADP401 4.3 25.2 1.0
CB A:ASN323 4.4 24.7 1.0
O A:HOH21 4.4 33.6 1.0
CE1 A:HIS194 4.4 31.3 1.0
O A:ALA191 4.5 29.2 1.0
O2A A:ADP401 4.5 26.6 1.0
NH2 A:ARG134 4.7 29.3 0.5
ND1 A:HIS194 4.7 31.4 1.0
O A:HOH439 4.8 28.0 1.0
CA A:ASP321 4.8 25.1 1.0
PA A:ADP401 4.8 26.7 1.0
CA A:ASN323 4.9 25.1 1.0
NH2 A:ARG134 5.0 26.5 0.5

Reference:

H.Wang, J.R.Falck, T.M.Hall, S.B.Shears. Structural Basis For An Inositol Pyrophosphate Kinase Surmounting Phosphate Crowding. Nat.Chem.Biol. V. 8 111 2011.
ISSN: ISSN 1552-4450
PubMed: 22119861
DOI: 10.1038/NCHEMBIO.733
Page generated: Thu Aug 15 11:57:34 2024

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