Magnesium in PDB 8of5: Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp

All present enzymatic activity of Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp:
2.7.11.1;

The structure of Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp, PDB code: 8of5 was solved by J.A.Miles, K.L.R.Hammond, R.Bayliss, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.79 / 1.97
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.49, 83.49, 116.57, 90, 90, 90
R / Rfree (%)	18.4 / 23.5

The binding sites of Magnesium atom in the Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp (pdb code 8of5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp, PDB code: 8of5:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to 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 Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg507 b:48.6 occ:1.00 O3B A:ADP501 2.0 50.7 1.0 OD1 A:ASN261 2.1 49.1 1.0 OD1 A:ASP274 2.1 50.2 1.0 O2A A:ADP501 2.1 50.1 1.0 O A:HOH663 2.1 51.4 1.0 O A:HOH695 2.2 53.3 1.0 CG A:ASP274 3.1 52.7 1.0 CG A:ASN261 3.1 48.7 1.0 PB A:ADP501 3.2 50.9 1.0 PA A:ADP501 3.3 51.8 1.0 ND2 A:ASN261 3.5 49.4 1.0 O3A A:ADP501 3.5 49.4 1.0 CB A:ASP274 3.6 48.0 1.0 O1B A:ADP501 3.8 54.7 1.0 O A:HOH659 3.9 58.8 1.0 O A:HOH610 4.0 61.6 1.0 MG A:MG508 4.0 41.0 1.0 OE1 A:GLU260 4.1 71.4 1.0 OD2 A:ASP274 4.1 54.6 1.0 O1A A:ADP501 4.4 52.8 1.0 O5' A:ADP501 4.4 55.3 1.0 O A:HOH702 4.4 49.4 1.0 CB A:ASN261 4.4 49.7 1.0 O2B A:ADP501 4.4 52.5 1.0 CG A:GLU260 4.6 64.6 1.0 C5' A:ADP501 4.6 53.9 1.0 O3' A:ADP501 4.7 53.1 1.0 O A:HOH705 4.8 72.2 1.0 CD A:GLU260 4.8 78.0 1.0 O A:GLU260 4.9 50.9 1.0 CA A:ASN261 4.9 53.3 1.0 OD1 A:ASP256 4.9 56.0 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp


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 Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg508 b:41.0 occ:1.00 OD2 A:ASP274 2.3 54.6 1.0 O1B A:ADP501 2.4 54.7 1.0 O A:HOH659 2.4 58.8 1.0 OD1 A:ASP274 2.5 50.2 1.0 O A:HOH643 2.6 53.5 1.0 O A:HOH612 2.7 54.1 1.0 CG A:ASP274 2.7 52.7 1.0 MG A:MG509 3.3 78.8 1.0 PB A:ADP501 3.4 50.9 1.0 O3B A:ADP501 3.5 50.7 1.0 MG A:MG507 4.0 48.6 1.0 CA A:GLY276 4.2 49.0 1.0 CB A:ASP274 4.2 48.0 1.0 OD1 A:ASP256 4.2 56.0 1.0 NZ A:LYS162 4.2 59.0 1.0 O A:HOH663 4.3 51.4 1.0 O2B A:ADP501 4.4 52.5 1.0 N A:GLY276 4.4 52.2 1.0 O3A A:ADP501 4.6 49.4 1.0 OE1 A:GLU181 4.7 65.6 1.0 O A:HOH700 4.7 69.2 1.0 O A:ASP274 4.8 49.2 1.0 O A:HOH610 4.9 61.6 1.0 O2A A:ADP501 4.9 50.1 1.0 CA A:ASP274 4.9 49.0 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg509 b:78.8 occ:1.00 O A:HOH612 3.0 54.1 1.0 MG A:MG508 3.3 41.0 1.0 NE1 A:TRP277 3.8 51.4 1.0 O A:HOH659 4.0 58.8 1.0 CE2 A:TRP277 4.0 57.7 1.0 O A:HOH700 4.1 69.2 1.0 CA A:GLY276 4.2 49.0 1.0 O A:HOH643 4.3 53.5 1.0 CZ2 A:TRP277 4.3 55.4 1.0 CD1 A:TRP277 4.4 52.8 1.0 CD1 A:PHE144 4.5 69.8 1.0 C A:GLY276 4.5 53.8 1.0 O A:GLY276 4.7 51.4 1.0 CD2 A:TRP277 4.7 55.1 1.0 O1B A:ADP501 4.7 54.7 1.0 CE1 A:PHE144 4.8 66.0 1.0 CG A:TRP277 4.9 54.4 1.0

J.A.Miles, K.L.R.Hammond, R.Bayliss. Crystal Structure of Aurora A 122-403 C290A, N332A, Q335A, C393A Bound to Adp To Be Published.