Magnesium in PDB 6unq: Kinase Domain of ALK2-K493A with Amppnp

All present enzymatic activity of Kinase Domain of ALK2-K493A with Amppnp:
2.7.11.30;

The structure of Kinase Domain of ALK2-K493A with Amppnp, PDB code: 6unq was solved by C.Agnew, N.Jura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.07 / 2.40
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	59.464, 86.862, 138.04, 90, 90, 90
R / Rfree (%)	21.8 / 28.3

The binding sites of Magnesium atom in the Kinase Domain of ALK2-K493A with Amppnp (pdb code 6unq). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Kinase Domain of ALK2-K493A with Amppnp, PDB code: 6unq:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Kinase Domain of ALK2-K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Kinase Domain of ALK2-K493A with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:67.4 occ:1.00 O1A A:ANP501 2.2 76.1 1.0 O2B A:ANP501 2.3 75.2 1.0 OD1 A:ASN341 2.5 47.9 1.0 MG A:MG503 2.7 67.6 1.0 OD2 A:ASP354 3.0 62.3 1.0 PA A:ANP501 3.4 77.3 1.0 O3G A:ANP501 3.5 77.7 1.0 PB A:ANP501 3.5 75.7 1.0 CG A:ASN341 3.6 51.2 1.0 O3A A:ANP501 3.7 86.0 1.0 NZ A:LYS235 3.7 70.6 1.0 CG A:ASP354 3.8 50.4 1.0 CB A:ASP354 4.0 44.1 1.0 ND2 A:ASN341 4.1 45.5 1.0 O5' A:ANP501 4.3 82.3 1.0 N3B A:ANP501 4.4 76.8 1.0 PG A:ANP501 4.5 76.2 1.0 O2A A:ANP501 4.5 74.1 1.0 CE A:LYS235 4.5 61.8 1.0 O1B A:ANP501 4.7 74.4 1.0 OD1 A:ASP354 4.8 51.6 1.0 O A:HOH603 4.8 40.6 1.0 O A:LYS340 4.9 56.3 1.0 CB A:ASN341 4.9 52.0 1.0 O1G A:ANP501 5.0 58.2 1.0

Magnesium binding site 2 out of 4 in the Kinase Domain of ALK2-K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Kinase Domain of ALK2-K493A with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:67.6 occ:1.00 MG A:MG502 2.7 67.4 1.0 OD1 A:ASN341 3.1 47.9 1.0 O1A A:ANP501 3.1 76.1 1.0 O2B A:ANP501 3.3 75.2 1.0 O A:LYS340 3.4 56.3 1.0 C8 A:ANP501 3.8 51.3 1.0 CA A:ASN341 4.1 49.9 1.0 O5' A:ANP501 4.1 82.3 1.0 N7 A:ANP501 4.1 55.1 1.0 CG A:ASN341 4.2 51.2 1.0 PA A:ANP501 4.2 77.3 1.0 C A:LYS340 4.4 52.7 1.0 C3' A:ANP501 4.5 67.1 1.0 PB A:ANP501 4.6 75.7 1.0 CB A:ALA353 4.6 45.3 1.0 N A:ASN341 4.7 50.5 1.0 CB A:ASN341 4.7 52.0 1.0 CB A:ASP354 4.8 44.1 1.0 N9 A:ANP501 4.9 51.4 1.0 C A:ASN341 4.9 48.2 1.0 O3A A:ANP501 4.9 86.0 1.0 O A:HOH603 4.9 40.6 1.0 O1B A:ANP501 5.0 74.4 1.0 C2' A:ANP501 5.0 62.8 1.0

Magnesium binding site 3 out of 4 in the Kinase Domain of ALK2-K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Kinase Domain of ALK2-K493A with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:90.5 occ:1.00 OE1 A:GLU248 2.5 53.5 1.0 OD1 A:ASP354 3.0 51.6 1.0 CD A:GLU248 3.4 51.0 1.0 CZ A:PHE237 3.4 47.8 1.0 CE2 A:PHE237 3.5 47.8 1.0 NZ A:LYS235 3.6 70.6 1.0 CB A:SER244 3.7 58.2 1.0 CG A:GLU248 3.7 43.2 1.0 NH2 A:ARG375 3.7 59.5 1.0 CA A:GLY356 3.8 50.8 1.0 CG A:ASP354 3.8 50.4 1.0 N A:GLY356 4.0 46.4 1.0 O A:SER244 4.2 51.0 1.0 OD2 A:ASP354 4.3 62.3 1.0 C A:SER244 4.3 49.0 1.0 OE2 A:GLU248 4.4 57.2 1.0 OG A:SER244 4.5 52.1 1.0 O A:HOH603 4.5 40.6 1.0 CA A:SER244 4.5 51.7 1.0 CA A:ASP354 4.7 37.7 1.0 CE1 A:PHE237 4.7 48.6 1.0 CZ A:ARG375 4.7 58.4 1.0 CE A:LYS235 4.8 61.8 1.0 CD2 A:PHE237 4.8 48.3 1.0 CB A:GLU248 4.8 45.8 1.0 CB A:ASP354 4.8 44.1 1.0 NH1 A:ARG375 4.9 56.5 1.0 C A:GLY356 4.9 50.1 1.0 N A:LEU355 5.0 47.9 1.0

Magnesium binding site 4 out of 4 in the Kinase Domain of ALK2-K493A with Amppnp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Kinase Domain of ALK2-K493A with Amppnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg505 b:72.2 occ:1.00 OE2 A:GLU248 2.6 57.2 1.0 N A:ASP354 2.7 37.7 1.0 OH A:TYR252 3.0 56.8 1.0 O A:HOH603 3.4 40.6 1.0 CA A:ASP354 3.4 37.7 1.0 CA A:ALA353 3.5 42.6 1.0 CB A:ALA353 3.6 45.3 1.0 C A:ALA353 3.6 38.8 1.0 CD A:GLU248 3.8 51.0 1.0 CE2 A:TYR252 3.8 57.0 1.0 CD2 A:LEU263 3.8 40.5 1.0 CZ A:TYR252 3.9 57.0 1.0 N A:LEU355 3.9 47.9 1.0 C A:ASP354 4.1 46.7 1.0 OE1 A:GLU248 4.3 53.5 1.0 CD2 A:LEU281 4.3 55.5 1.0 CB A:LEU263 4.3 44.2 1.0 CG A:LEU263 4.5 45.7 1.0 CB A:ASP354 4.7 44.1 1.0 O A:ALA353 4.8 41.8 1.0 CG A:LEU355 4.8 47.2 1.0 CG A:GLU248 4.9 43.2 1.0 N A:ALA353 4.9 48.8 1.0 CD1 A:LEU355 4.9 56.1 1.0

C.Agnew, N.Jura. Kinase Domain of ALK2-K493A with Amppnp To Be Published.