Magnesium in PDB 6cpf: Structure of Dephosphorylated Aurora A (122-403) Bound to Amppcp in An Active Conformation

Enzymatic activity of Structure of Dephosphorylated Aurora A (122-403) Bound to Amppcp in An Active Conformation

All present enzymatic activity of Structure of Dephosphorylated Aurora A (122-403) Bound to Amppcp in An Active Conformation:
2.7.11.1;

Protein crystallography data

The structure of Structure of Dephosphorylated Aurora A (122-403) Bound to Amppcp in An Active Conformation, PDB code: 6cpf was solved by R.Otten, A.Zorba, R.A.P.Padua, D.Kern, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 54.79 / 2.30
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 81.750, 81.750, 172.871, 90.00, 90.00, 120.00
R / Rfree (%) 21.8 / 25.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Dephosphorylated Aurora A (122-403) Bound to Amppcp in An Active Conformation (pdb code 6cpf). 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 Dephosphorylated Aurora A (122-403) Bound to Amppcp in An Active Conformation, PDB code: 6cpf:

Magnesium binding site 1 out of 1 in 6cpf

Go back to Magnesium Binding Sites List in 6cpf
Magnesium binding site 1 out of 1 in the Structure of Dephosphorylated Aurora A (122-403) Bound to Amppcp in An Active Conformation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Dephosphorylated Aurora A (122-403) Bound to Amppcp in An Active Conformation within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg502

b:78.5
occ:1.00
 O1B A:ACP501 2.0 84.6 1.0
OD1 A:ASN261 2.0 56.0 1.0
OD2 A:ASP274 2.1 74.6 1.0
O1A A:ACP501 2.3 81.4 1.0
CG A:ASN261 3.0 59.7 1.0
HD21 A:ASN261 3.2 69.8 1.0
CG A:ASP274 3.3 78.8 1.0
PB A:ACP501 3.4 84.0 1.0
HB2 A:ASP274 3.4 90.9 1.0
ND2 A:ASN261 3.5 58.1 1.0
PA A:ACP501 3.6 80.6 1.0
H5'2 A:ACP501 3.6 92.6 1.0
CB A:ASP274 3.8 75.7 1.0
O3A A:ACP501 3.9 96.7 1.0
HB3 A:ASP274 4.1 90.9 1.0
HA A:ASN261 4.2 59.6 1.0
O2B A:ACP501 4.2 96.8 1.0
H3B1 A:ACP501 4.2 0.4 1.0
HG3 A:GLU260 4.2 77.1 1.0
OD1 A:ASP274 4.3 88.5 1.0
HD22 A:ASN261 4.3 69.8 1.0
CB A:ASN261 4.3 52.0 1.0
HG2 A:GLU260 4.4 77.1 1.0
O A:GLU260 4.4 52.6 1.0
C5' A:ACP501 4.5 77.1 1.0
C3B A:ACP501 4.5 97.8 1.0
O2A A:ACP501 4.5 83.3 1.0
O5' A:ACP501 4.6 77.4 1.0
H3' A:ACP501 4.6 88.4 1.0
HB3 A:ASN261 4.7 62.5 1.0
CA A:ASN261 4.7 49.6 1.0
O3' A:ACP501 4.7 61.2 1.0
CG A:GLU260 4.7 64.2 1.0
HB2 A:GLU260 4.8 56.6 1.0
C A:GLU260 4.8 45.7 1.0
N A:ASN261 4.9 51.6 1.0

Reference:

W.Pitsawong, V.Buosi, R.Otten, R.V.Agafonov, A.Zorba, N.Kern, S.Kutter, G.Kern, R.A.Padua, X.Meniche, D.Kern. Dynamics of Human Protein Kinase Aurora A Linked to Drug Selectivity. Elife V. 7 2018.
ISSN: ESSN 2050-084X
PubMed: 29901437
DOI: 10.7554/ELIFE.36656
Page generated: Mon Dec 14 22:31:33 2020

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