Magnesium in PDB 8r99: A Soakable Crystal Form of Human CDK7 in Complex with Amp-Pnp

The structure of A Soakable Crystal Form of Human CDK7 in Complex with Amp-Pnp, PDB code: 8r99 was solved by M.Mukherjee, A.Cleasby, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.52 / 1.81
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	144.872, 40.232, 68.589, 90, 90, 90
R / Rfree (%)	17.5 / 22

The binding sites of Magnesium atom in the A Soakable Crystal Form of Human CDK7 in Complex with Amp-Pnp (pdb code 8r99). 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 A Soakable Crystal Form of Human CDK7 in Complex with Amp-Pnp, PDB code: 8r99:

Magnesium binding site 1 out of 1 in the A Soakable Crystal Form of Human CDK7 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 A Soakable Crystal Form of Human CDK7 in Complex with Amp-Pnp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:76.1 occ:1.00 OD1 A:ASN142 2.4 27.6 1.0 O2G A:ANP401 2.5 161.7 1.0 O1B A:ANP401 2.7 111.0 1.0 O3A A:ANP401 3.0 132.4 1.0 O A:HOH614 3.0 46.2 1.0 OD2 A:ASP155 3.1 57.5 1.0 O A:HOH524 3.1 57.7 1.0 CG A:ASN142 3.4 24.2 1.0 PB A:ANP401 3.5 135.7 1.0 CG A:ASP155 3.8 50.9 1.0 ND2 A:ASN142 3.8 23.1 1.0 O1A A:ANP401 3.9 109.6 1.0 CB A:ASP155 3.9 40.4 1.0 PG A:ANP401 3.9 150.2 1.0 OD1 A:ASN141 3.9 45.4 1.0 PA A:ANP401 4.1 117.4 1.0 N3B A:ANP401 4.2 140.5 1.0 O A:ASN141 4.4 25.6 1.0 CG A:ASN141 4.6 35.5 1.0 O1G A:ANP401 4.7 149.4 1.0 CB A:ASN142 4.7 23.1 1.0 O2B A:ANP401 4.8 106.8 1.0 OD1 A:ASP155 4.8 49.7 1.0 CE A:LYS139 4.9 35.3 1.0 CA A:ASN142 4.9 22.9 1.0 ND2 A:ASN141 4.9 44.3 1.0 C A:ASN141 4.9 24.8 1.0 O A:HOH508 5.0 50.2 1.0

M.Mukherjee, P.Day, D.Laverty, J.A.Bueren-Calabuig, A.Woodhead, C.Griffiths-Jones, S.Hiscock, C.East, S.Boyd, M.O'reilly. Protein Engineering Enables A Soakable Crystal Form of Human CDK7 Primed For High-Throughput Crystallography and Structure-Based Drug Design To Be Published.