Aluminium in PDB 5efq: Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride

All present enzymatic activity of Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride:
2.7.11.22; 2.7.11.23;

The structure of Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride, PDB code: 5efq was solved by D.Hoenig, A.K.Greifenberg, K.Anand, M.Geyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.19 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	50.780, 81.820, 93.140, 74.08, 84.26, 76.89
R / Rfree (%)	19.4 / 24.7

The structure of Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride also contains other interesting chemical elements:

Fluorine	(F)	6 atoms
Magnesium	(Mg)	4 atoms

The binding sites of Aluminium atom in the Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride (pdb code 5efq). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total 2 binding sites of Aluminium where determined in the Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride, PDB code: 5efq:
Jump to Aluminium binding site number: 1; 2;

Aluminium binding site 1 out of 2 in the Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:Al1102 b:0.7 occ:1.00 AL A:AF31102 0.0 0.7 1.0 F3 A:AF31102 1.6 95.0 1.0 F1 A:AF31102 1.6 49.4 1.0 F2 A:AF31102 1.7 80.9 1.0 MG A:MG1104 2.9 68.1 1.0 OD2 A:ASP837 3.2 55.0 1.0 O3B A:ADP1101 3.3 61.7 1.0 MG A:MG1103 3.4 49.4 1.0 OD2 A:ASP855 3.4 46.0 1.0 CE A:LYS839 3.9 61.6 1.0 NZ A:LYS839 4.0 65.6 1.0 O2B A:ADP1101 4.0 85.2 1.0 O A:HOH1204 4.1 61.7 1.0 O A:HOH1207 4.1 49.9 1.0 PB A:ADP1101 4.2 56.5 1.0 ND2 A:ASN842 4.2 46.8 1.0 CG A:ASP837 4.3 54.7 1.0 CG A:ASP855 4.6 48.1 1.0 OD1 A:ASP837 4.6 49.6 1.0 OD1 A:ASN842 4.6 46.1 1.0 O A:HOH1271 4.8 0.3 1.0 O A:HOH1223 4.8 73.3 1.0 CG A:ASN842 4.9 50.5 1.0 O1B A:ADP1101 4.9 60.9 1.0

Aluminium binding site 2 out of 2 in the Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 2 of Crystal Structure of Human CDK13/Cyclin K in Complex with Adp-Aluminum Fluoride within 5.0Å range: probe atom residue distance (Å) B Occ C:Al1102 b:0.6 occ:1.00 AL C:AF31102 0.0 0.6 1.0 F3 C:AF31102 1.6 0.5 1.0 F2 C:AF31102 1.6 50.6 1.0 F1 C:AF31102 1.6 95.1 1.0 MG C:MG1104 3.0 75.2 1.0 O1B C:ADP1101 3.2 58.8 1.0 OD2 C:ASP837 3.3 64.6 1.0 MG C:MG1103 3.4 44.6 1.0 OD2 C:ASP855 3.5 49.1 1.0 O C:HOH1203 3.9 62.1 1.0 NZ C:LYS839 3.9 70.2 1.0 CE C:LYS839 4.0 61.3 1.0 PB C:ADP1101 4.1 57.9 1.0 O2B C:ADP1101 4.1 84.7 1.0 ND2 C:ASN842 4.3 38.5 1.0 CG C:ASP837 4.4 63.2 1.0 O C:HOH1247 4.4 91.0 1.0 O C:HOH1221 4.5 47.8 1.0 OD1 C:ASP837 4.7 54.7 1.0 CG C:ASP855 4.7 48.6 1.0 OD1 C:ASN842 4.7 40.9 1.0 O3B C:ADP1101 4.8 53.6 1.0 CG C:ASN842 5.0 49.1 1.0

A.K.Greifenberg, D.Honig, K.Pilarova, R.Duster, K.Bartholomeeusen, C.A.Bosken, K.Anand, D.Blazek, M.Geyer. Structural and Functional Analysis of the CDK13/Cyclin K Complex. Cell Rep V. 14 320 2016.
ISSN: ESSN 2211-1247
PubMed: 26748711
DOI: 10.1016/J.CELREP.2015.12.025