Atomistry » Magnesium » PDB 6vnp-6vz9 » 6vpl
Atomistry »
  Magnesium »
    PDB 6vnp-6vz9 »
      6vpl »

Magnesium in PDB 6vpl: TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp

Enzymatic activity of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp

All present enzymatic activity of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp:
2.7.11.1;

Protein crystallography data

The structure of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp, PDB code: 6vpl was solved by D.C.Lim, M.B.Yaffe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.07 / 1.86
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 50.637, 85.562, 152.934, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 20.1

Other elements in 6vpl:

The structure of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp (pdb code 6vpl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp, PDB code: 6vpl:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 6vpl

Go back to Magnesium Binding Sites List in 6vpl
Magnesium binding site 1 out of 4 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:38.6
occ:1.00
OD2 A:ASP11 2.5 21.3 1.0
OE1 B:GLU175 2.5 26.3 1.0
O B:SER7 2.5 26.4 1.0
CD B:GLU175 3.2 31.3 1.0
OE2 B:GLU175 3.3 29.8 1.0
CG A:ASP11 3.4 23.7 1.0
O B:HOH861 3.5 27.4 1.0
CD2 B:HIS176 3.5 19.3 1.0
C B:SER7 3.6 26.6 1.0
N B:SER7 3.7 27.9 1.0
NH1 B:ARG179 3.7 14.9 1.0
OD1 A:ASP11 3.7 25.4 1.0
NE2 B:HIS176 3.7 20.4 1.0
CA B:SER7 4.0 28.4 1.0
CD B:ARG179 4.1 19.3 1.0
CB B:SER7 4.2 32.4 1.0
CZ B:ARG179 4.3 21.9 1.0
CE B:MET-1 4.3 32.9 0.6
CB B:MET-1 4.3 32.8 0.6
CB B:MET-1 4.3 33.4 0.4
NE B:ARG179 4.4 18.1 1.0
CE2 B:TYR10 4.5 19.0 1.0
C B:MET-1 4.5 34.3 1.0
CG B:GLU175 4.6 29.6 1.0
N B:TYR8 4.7 22.8 1.0
OG B:SER7 4.8 27.0 1.0
CB A:ASP11 4.8 21.8 1.0
CG B:HIS176 4.9 19.3 1.0
CA B:MET-1 4.9 34.1 1.0
CB B:ARG179 4.9 13.0 1.0
O B:GLU175 5.0 16.3 1.0
CE B:MET-1 5.0 35.9 0.4

Magnesium binding site 2 out of 4 in 6vpl

Go back to Magnesium Binding Sites List in 6vpl
Magnesium binding site 2 out of 4 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg604

b:56.4
occ:1.00
O3G A:ANP602 2.9 95.8 0.8
OE1 A:GLU181 3.0 23.8 1.0
O A:HOH825 3.2 43.5 1.0
O A:HOH740 3.3 39.8 1.0
NZ A:LYS162 3.3 41.0 1.0
CD A:GLU181 3.8 24.7 1.0
O A:HOH890 3.8 38.7 1.0
CD2 A:LEU164 3.9 32.5 1.0
OE2 A:GLU181 3.9 22.0 1.0
CD1 A:LEU178 3.9 20.8 1.0
CE A:LYS162 4.3 34.7 1.0
PG A:ANP602 4.4 96.8 0.8
O A:HOH893 4.7 43.9 1.0
N3B A:ANP602 4.8 94.4 0.8
O2G A:ANP602 5.0 97.8 0.8

Magnesium binding site 3 out of 4 in 6vpl

Go back to Magnesium Binding Sites List in 6vpl
Magnesium binding site 3 out of 4 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg605

b:42.6
occ:1.00
OE1 A:GLU175 2.3 38.7 1.0
O A:SER7 2.4 38.0 1.0
OD2 B:ASP11 2.6 23.9 1.0
CD A:GLU175 3.1 37.8 1.0
OE2 A:GLU175 3.2 35.2 1.0
O A:HOH869 3.4 28.1 1.0
C A:SER7 3.5 34.8 1.0
CG B:ASP11 3.5 24.0 1.0
CD2 A:HIS176 3.5 20.6 1.0
NH1 A:ARG179 3.6 15.3 1.0
OD1 B:ASP11 3.8 26.3 1.0
NE2 A:HIS176 3.8 20.9 1.0
N A:SER7 3.9 32.5 1.0
CD A:ARG179 4.1 16.0 1.0
CA A:SER7 4.1 32.7 1.0
CB A:SER7 4.2 36.3 1.0
CZ A:ARG179 4.3 17.0 1.0
CG A:MET-1 4.4 56.1 1.0
NE A:ARG179 4.4 16.6 1.0
CE2 A:TYR10 4.4 23.4 1.0
CG A:GLU175 4.6 35.8 1.0
CE A:MET-1 4.6 60.5 1.0
N A:TYR8 4.6 21.2 1.0
OG A:SER7 4.6 31.3 1.0
CG A:HIS176 4.9 19.2 1.0
CB A:ARG179 4.9 15.5 1.0
CB B:ASP11 4.9 22.7 1.0
CA A:TYR8 4.9 19.3 1.0
C A:MET-1 4.9 42.0 1.0
O A:GLU175 5.0 18.8 1.0

Magnesium binding site 4 out of 4 in 6vpl

Go back to Magnesium Binding Sites List in 6vpl
Magnesium binding site 4 out of 4 in the TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of TPX2 Residues 7-20 Fused to Aurora A Residues 116-389 with C290 Disulfide Bonded to Compound 7-80, and in Complex with Amp-Pnp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg604

b:63.7
occ:1.00
O2G B:ANP601 2.1 73.2 0.7
OE1 B:GLU181 2.9 28.6 1.0
NZ B:LYS162 3.1 45.4 1.0
OE2 B:GLU181 3.6 24.7 1.0
O B:HOH715 3.6 31.2 1.0
CD B:GLU181 3.6 27.6 1.0
PG B:ANP601 3.7 76.9 0.7
CE B:LYS162 3.8 43.1 1.0
CD1 B:LEU178 3.9 14.5 1.0
CD2 B:LEU164 4.2 37.0 1.0
O3G B:ANP601 4.3 68.5 0.7
N3B B:ANP601 4.3 76.8 0.7
O B:HOH889 4.4 35.6 1.0
O1G B:ANP601 4.6 80.1 0.7
CD B:LYS162 4.7 34.0 1.0
CD2 B:LEU208 5.0 22.8 1.0
O B:HOH929 5.0 44.9 1.0

Reference:

D.C.Lim, V.Joukov, T.J.Rettenmaier, A.Kumagai, W.G.Dunphy, J.A.Wells, M.B.Yaffe. Redox Priming Promotes Aurora A Activation During Mitosis. Sci.Signal. V. 13 2020.
ISSN: ESSN 1937-9145
PubMed: 32694171
DOI: 10.1126/SCISIGNAL.ABB6707
Page generated: Tue Oct 1 22:12:01 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy