Magnesium in PDB 3blq: Crystal Structure of Human CDK9/CYCLINT1 in Complex with Atp

All present enzymatic activity of Crystal Structure of Human CDK9/CYCLINT1 in Complex with Atp:
2.7.11.22; 2.7.11.23;

The structure of Crystal Structure of Human CDK9/CYCLINT1 in Complex with Atp, PDB code: 3blq was solved by S.Baumli, G.Lolli, E.D.Lowe, L.N.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 2.90
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	173.130, 173.130, 95.640, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / 23.4

The binding sites of Magnesium atom in the Crystal Structure of Human CDK9/CYCLINT1 in Complex with Atp (pdb code 3blq). 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 Human CDK9/CYCLINT1 in Complex with Atp, PDB code: 3blq:

Magnesium binding site 1 out of 1 in the Crystal Structure of Human CDK9/CYCLINT1 in Complex with Atp


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 Human CDK9/CYCLINT1 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg331 b:0.4 occ:1.00 O2A A:ATP332 2.9 0.8 1.0 O3B A:ATP332 3.1 0.6 1.0 OD1 A:ASN154 3.1 87.5 1.0 O2G A:ATP332 3.2 0.4 1.0 OD2 A:ASP167 3.7 0.9 1.0 PG A:ATP332 3.7 0.1 1.0 O A:ALA153 4.0 99.4 1.0 O1B A:ATP332 4.0 94.7 1.0 PB A:ATP332 4.1 0.0 1.0 PA A:ATP332 4.1 0.8 1.0 CG A:ASN154 4.2 86.7 1.0 C5' A:ATP332 4.2 0.1 1.0 C3' A:ATP332 4.2 0.4 1.0 O1G A:ATP332 4.3 0.1 1.0 O5' A:ATP332 4.4 0.6 1.0 O3A A:ATP332 4.5 0.7 1.0 C A:ALA153 4.6 95.3 1.0 CB A:ALA153 4.7 95.0 1.0 CG A:ASP167 4.7 0.0 1.0 CE A:LYS151 4.8 93.2 1.0 ND2 A:ASN154 4.8 94.5 1.0 C4' A:ATP332 4.9 0.1 1.0 CB A:ASP167 5.0 90.2 1.0 O3' A:ATP332 5.0 0.0 1.0 NZ A:LYS151 5.0 95.7 1.0

S.Baumli, G.Lolli, E.D.Lowe, S.Troiani, L.Rusconi, A.N.Bullock, J.E.Debreczeni, S.Knapp, L.N.Johnson. The Structure of P-Tefb (CDK9/Cyclin T1), Its Complex with Flavopiridol and Regulation By Phosphorylation Embo J. V. 27 1907 2008.
ISSN: ISSN 0261-4189
PubMed: 18566585
DOI: 10.1038/EMBOJ.2008.121