Magnesium in PDB 2g1t: A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain

All present enzymatic activity of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain:
2.7.1.112;

The structure of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain, PDB code: 2g1t was solved by N.M.Levinson, O.Kuchment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.586, 78.440, 141.609, 90.00, 90.11, 90.00
R / Rfree (%)	21.9 / 24.4

The binding sites of Magnesium atom in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain (pdb code 2g1t). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain, PDB code: 2g1t:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:17.4 occ:1.00 OD2 A:ASP381 2.0 16.3 1.0 O2A E:1121101 2.1 20.0 1.0 O1B E:1121101 2.1 18.6 1.0 O A:HOH1512 2.1 17.8 1.0 OD1 A:ASN368 2.2 21.0 1.0 O A:HOH1525 2.2 14.4 1.0 CG A:ASP381 3.1 21.8 1.0 O3A E:1121101 3.2 21.5 1.0 PA E:1121101 3.3 19.5 1.0 PB E:1121101 3.3 20.0 1.0 CG A:ASN368 3.3 20.9 1.0 CB A:ASP381 3.7 16.1 1.0 O2G E:1121101 3.8 17.4 1.0 O E:HOH1112 3.9 37.6 1.0 NZ A:LYS271 3.9 24.7 1.0 ND2 A:ASN368 3.9 19.6 1.0 OD1 A:ASP381 4.1 24.5 1.0 O3B E:1121101 4.2 22.3 1.0 C5' E:1121101 4.3 25.8 1.0 O A:ARG367 4.3 16.2 1.0 O5' E:1121101 4.3 24.2 1.0 PG E:1121101 4.4 21.2 1.0 O2B E:1121101 4.4 18.3 1.0 O1A E:1121101 4.4 16.4 1.0 CB A:ASN368 4.5 18.9 1.0 S1G E:1121101 4.5 23.2 1.0 O A:HOH1502 4.5 16.1 1.0 CA A:ASN368 4.6 17.3 1.0 C A:ARG367 5.0 18.0 1.0

Magnesium binding site 2 out of 4 in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1601 b:21.4 occ:1.00 OD2 B:ASP381 2.0 22.2 1.0 O F:HOH268 2.1 20.3 1.0 O1B F:1121201 2.1 20.5 1.0 O F:HOH269 2.1 21.5 1.0 OD1 B:ASN368 2.1 21.1 1.0 O2A F:1121201 2.2 23.5 1.0 CG B:ASP381 3.0 21.9 1.0 CG B:ASN368 3.2 22.3 1.0 O3A F:1121201 3.3 26.8 1.0 PB F:1121201 3.3 22.3 1.0 PA F:1121201 3.3 22.6 1.0 CB B:ASP381 3.7 18.1 1.0 ND2 B:ASN368 3.8 21.2 1.0 O2G F:1121201 3.9 20.2 1.0 NZ B:LYS271 3.9 26.3 1.0 OD1 B:ASP381 4.0 22.9 1.0 O B:ARG367 4.2 18.9 1.0 O3B F:1121201 4.2 23.9 1.0 C5' F:1121201 4.3 27.2 1.0 O2B F:1121201 4.4 21.6 1.0 O5' F:1121201 4.4 27.2 1.0 PG F:1121201 4.4 21.6 1.0 CB B:ASN368 4.5 21.6 1.0 O1A F:1121201 4.5 24.9 1.0 S1G F:1121201 4.6 25.2 1.0 CA B:ASN368 4.6 20.4 1.0 O B:HOH1607 4.6 21.4 1.0 O B:HOH1637 4.9 26.6 1.0 C B:ARG367 5.0 21.4 1.0

Magnesium binding site 3 out of 4 in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1701 b:20.8 occ:1.00 O2A G:1121301 2.0 22.9 1.0 OD2 C:ASP381 2.0 18.9 1.0 OD1 C:ASN368 2.1 22.8 1.0 O C:HOH1795 2.2 16.6 1.0 O1B G:1121301 2.2 23.2 1.0 O G:HOH7 2.2 19.8 1.0 CG C:ASP381 3.1 20.6 1.0 O3A G:1121301 3.2 27.5 1.0 PA G:1121301 3.3 23.9 1.0 CG C:ASN368 3.3 21.3 1.0 PB G:1121301 3.4 24.4 1.0 CB C:ASP381 3.7 16.8 1.0 ND2 C:ASN368 3.9 22.7 1.0 NZ C:LYS271 3.9 29.1 1.0 O2G G:1121301 4.0 18.6 1.0 OD1 C:ASP381 4.0 22.0 1.0 O C:HOH1801 4.1 45.8 1.0 O C:ARG367 4.3 21.0 1.0 C5' G:1121301 4.3 27.6 1.0 O5' G:1121301 4.3 28.0 1.0 O3B G:1121301 4.3 25.4 1.0 O1A G:1121301 4.4 23.2 1.0 O2B G:1121301 4.4 23.4 1.0 CB C:ASN368 4.5 20.9 1.0 PG G:1121301 4.5 22.2 1.0 CA C:ASN368 4.5 21.1 1.0 S1G G:1121301 4.6 24.6 1.0 O C:HOH1709 4.7 18.9 1.0 C C:ARG367 5.0 21.7 1.0

Magnesium binding site 4 out of 4 in the A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1801 b:20.8 occ:1.00 OD1 D:ASN368 2.0 16.9 1.0 O1B H:1121401 2.1 15.8 1.0 O2A H:1121401 2.1 19.5 1.0 OD2 D:ASP381 2.1 15.5 1.0 O D:HOH1928 2.2 16.3 1.0 O H:HOH1402 2.2 13.8 1.0 CG D:ASN368 3.1 18.8 1.0 CG D:ASP381 3.2 21.1 1.0 O3A H:1121401 3.3 25.2 1.0 PA H:1121401 3.4 18.8 1.0 PB H:1121401 3.4 19.8 1.0 ND2 D:ASN368 3.7 18.9 1.0 CB D:ASP381 3.7 16.3 1.0 NZ D:LYS271 3.9 21.1 1.0 O2G H:1121401 4.0 17.2 1.0 OD1 D:ASP381 4.2 26.1 1.0 O D:ARG367 4.2 17.2 1.0 O3B H:1121401 4.3 21.4 1.0 C5' H:1121401 4.3 24.8 1.0 CB D:ASN368 4.4 19.3 1.0 O5' H:1121401 4.4 24.1 1.0 O2B H:1121401 4.4 21.0 1.0 PG H:1121401 4.5 18.4 1.0 CA D:ASN368 4.5 18.4 1.0 O1A H:1121401 4.5 18.0 1.0 S1G H:1121401 4.6 21.7 1.0 O D:HOH1802 4.6 16.4 1.0 C D:ARG367 4.9 18.6 1.0

N.M.Levinson, O.Kuchment, K.Shen, M.A.Young, M.Koldobskiy, M.Karplus, P.A.Cole, J.Kuriyan. A Src-Like Inactive Conformation in the Abl Tyrosine Kinase Domain. Plos Biol. V. 4 753 2006.
ISSN: ISSN 1544-9173
PubMed: 16640460
DOI: 10.1371/JOURNAL.PBIO.0040144