Magnesium in PDB 4riw: Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer

All present enzymatic activity of Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer:
2.7.10.1;

The structure of Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer, PDB code: 4riw was solved by P.Littlefield, N.Jura, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.48 / 3.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.780, 154.640, 86.970, 90.00, 110.89, 90.00
R / Rfree (%)	22.7 / 28.7

The binding sites of Magnesium atom in the Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer (pdb code 4riw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer, PDB code: 4riw:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer


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 An Egfr/HER3 Kinase Domain Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1102 b:42.7 occ:1.00 O3A A:ANP1101 2.1 55.4 1.0 OD2 A:ASP833 2.4 49.2 1.0 OD1 A:ASN820 2.8 21.7 1.0 PB A:ANP1101 3.1 28.1 1.0 O2A A:ANP1101 3.1 45.4 1.0 PA A:ANP1101 3.1 48.6 1.0 CG A:ASP833 3.2 46.9 1.0 N3B A:ANP1101 3.3 21.3 1.0 OD1 A:ASP833 3.6 54.4 1.0 O1B A:ANP1101 3.7 33.2 1.0 O5' A:ANP1101 3.8 58.3 1.0 O3G A:ANP1101 3.9 59.0 1.0 PG A:ANP1101 4.0 33.0 1.0 CG A:ASN820 4.0 25.4 1.0 O1G A:ANP1101 4.1 39.2 1.0 O1A A:ANP1101 4.4 50.3 1.0 CB A:ASP833 4.4 34.6 1.0 C8 A:ANP1101 4.4 44.5 1.0 O2B A:ANP1101 4.5 54.2 1.0 NZ A:LYS723 4.6 41.5 1.0 C5' A:ANP1101 4.7 53.7 1.0 O A:ARG819 4.7 35.6 1.0 CA A:ASN820 4.8 26.7 1.0 ND2 A:ASN820 4.9 29.7 1.0 CB A:ASN820 4.9 26.4 1.0 C2' A:ANP1101 4.9 48.2 1.0 O4' A:ANP1101 4.9 44.8 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer


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 An Egfr/HER3 Kinase Domain Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:37.2 occ:1.00 O1B B:ADP1001 2.0 49.3 1.0 OD1 B:ASN818 2.2 43.9 1.0 O2A B:ADP1001 2.7 37.2 1.0 OD2 B:ASP831 3.0 52.5 1.0 CG B:ASN818 3.2 41.1 1.0 PB B:ADP1001 3.5 47.2 1.0 ND2 B:ASN818 3.6 41.2 1.0 CG B:ASP831 4.0 56.1 1.0 PA B:ADP1001 4.0 40.1 1.0 O3A B:ADP1001 4.2 17.3 1.0 OD2 B:ASP813 4.2 37.9 1.0 O2B B:ADP1001 4.3 46.5 1.0 O3B B:ADP1001 4.4 50.3 1.0 CB B:ASP831 4.4 53.0 1.0 CB B:ASN818 4.6 37.9 1.0 CB B:ARG817 4.7 32.0 1.0 NE B:ARG817 4.8 33.3 1.0 O5' B:ADP1001 4.8 36.3 1.0 C5' B:ADP1001 4.8 39.5 1.0 O B:ARG817 4.9 44.5 1.0 C B:ARG817 4.9 42.5 1.0 CA B:ASN818 4.9 40.8 1.0 OD1 B:ASP831 4.9 63.0 1.0 N B:ASN818 5.0 44.2 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer


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 An Egfr/HER3 Kinase Domain Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg1102 b:10.5 occ:1.00 OD2 C:ASP833 2.0 40.8 1.0 O3A C:ANP1101 2.3 75.3 1.0 OD1 C:ASN820 2.3 27.1 1.0 N3B C:ANP1101 2.4 34.4 1.0 O2A C:ANP1101 2.7 25.8 1.0 PB C:ANP1101 2.8 13.0 1.0 CG C:ASP833 3.0 45.4 1.0 PA C:ANP1101 3.1 20.0 1.0 O3G C:ANP1101 3.1 8.7 1.0 PG C:ANP1101 3.4 22.0 1.0 CG C:ASN820 3.5 26.8 1.0 OD1 C:ASP833 3.6 54.6 1.0 O1B C:ANP1101 3.8 23.1 1.0 O1A C:ANP1101 4.0 22.0 1.0 O2B C:ANP1101 4.1 46.0 1.0 CB C:ASP833 4.1 40.8 1.0 O5' C:ANP1101 4.3 38.8 1.0 ND2 C:ASN820 4.3 27.3 1.0 NZ C:LYS723 4.3 29.1 1.0 O1G C:ANP1101 4.4 27.7 1.0 O2G C:ANP1101 4.5 12.0 1.0 CB C:ASN820 4.5 25.9 1.0 CA C:ASN820 4.6 22.6 1.0 O C:ARG819 4.6 32.1 1.0 C8 C:ANP1101 4.8 34.3 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of An Egfr/HER3 Kinase Domain Heterodimer within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg1002 b:38.5 occ:1.00 O2B D:ADP1001 2.3 41.4 1.0 OD1 D:ASN818 2.6 25.6 1.0 OD2 D:ASP831 2.6 49.8 1.0 O2A D:ADP1001 2.7 43.7 1.0 CG D:ASN818 3.5 27.8 1.0 PB D:ADP1001 3.6 38.6 1.0 ND2 D:ASN818 3.7 27.9 1.0 CG D:ASP831 3.8 53.0 1.0 OD2 D:ASP813 3.9 45.7 1.0 PA D:ADP1001 4.0 44.1 1.0 O3B D:ADP1001 4.1 35.5 1.0 O3A D:ADP1001 4.2 31.4 1.0 NE D:ARG817 4.4 32.6 1.0 CB D:ASP831 4.5 50.2 1.0 NH2 D:ARG817 4.6 25.3 1.0 OD1 D:ASP831 4.7 58.6 1.0 O5' D:ADP1001 4.7 17.4 1.0 O1B D:ADP1001 4.8 42.0 1.0 CB D:ARG817 4.9 37.5 1.0 CB D:ASN818 4.9 30.2 1.0

P.Littlefield, L.Liu, V.Mysore, Y.Shan, D.E.Shaw, N.Jura. Structural Analysis of the Egfr/HER3 Heterodimer Reveals the Molecular Basis For Activating HER3 Mutations. Sci.Signal. V. 7 RA114 2014.
ISSN: ESSN 1937-9145
PubMed: 25468994
DOI: 10.1126/SCISIGNAL.2005786