Magnesium in PDB 4tnd: Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Amp-Pnp

All present enzymatic activity of Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Amp-Pnp:
2.7.11.16;

The structure of Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Amp-Pnp, PDB code: 4tnd was solved by A.Bhardwaj, K.E.Komolov, J.L.Benovic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.73 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.975, 62.975, 292.644, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.5

The binding sites of Magnesium atom in the Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Amp-Pnp (pdb code 4tnd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Amp-Pnp, PDB code: 4tnd:

Magnesium binding site 1 out of 1 in the Crystal Structure of G Protein-Coupled Receptor Kinase 5 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 Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg602 b:42.3 occ:1.00 O1B A:ANP601 2.0 32.0 1.0 O2A A:ANP601 2.0 40.7 1.0 O3G A:ANP601 2.0 67.0 1.0 OD1 A:ASP329 2.2 49.6 1.0 O A:HOH733 2.2 42.6 1.0 O A:HOH809 2.3 38.3 1.0 PB A:ANP601 3.0 38.5 1.0 PA A:ANP601 3.0 35.3 1.0 CG A:ASP329 3.2 43.4 1.0 O3A A:ANP601 3.2 46.0 1.0 PG A:ANP601 3.3 53.0 1.0 OD2 A:ASP329 3.5 46.3 1.0 N3B A:ANP601 3.6 48.3 1.0 O5' A:ANP601 3.7 29.8 1.0 O2G A:ANP601 4.0 51.0 1.0 OD1 A:ASN316 4.0 32.4 1.0 O A:HOH752 4.0 34.1 1.0 O2B A:ANP601 4.3 43.3 1.0 O1A A:ANP601 4.4 35.0 1.0 O A:HOH753 4.4 33.4 1.0 CB A:ASP329 4.4 27.7 1.0 O1G A:ANP601 4.5 45.9 1.0 O A:HOH728 4.6 49.8 1.0 C5' A:ANP601 4.9 26.5 1.0

K.E.Komolov, A.Bhardwaj, J.L.Benovic. Atomic Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) Reveals Distinct Structural Features Novel For Grks. J.Biol.Chem. 2015.
ISSN: ESSN 1083-351X
PubMed: 26032409
DOI: 10.1074/JBC.M115.647297