Aluminium in PDB 3qpw: PFKFB3 in Complex with Aluminum Tetrafluoride

All present enzymatic activity of PFKFB3 in Complex with Aluminum Tetrafluoride:
2.7.1.105; 3.1.3.46;

The structure of PFKFB3 in Complex with Aluminum Tetrafluoride, PDB code: 3qpw was solved by M.C.Cavalier, S.G.Kim, D.Neau, Y.H.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.25
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	102.709, 102.709, 257.044, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 24.2

The structure of PFKFB3 in Complex with Aluminum Tetrafluoride also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Chlorine	(Cl)	1 atom

The binding sites of Aluminium atom in the PFKFB3 in Complex with Aluminum Tetrafluoride (pdb code 3qpw). This binding sites where shown within 5.0 Angstroms radius around Aluminium atom.
In total only one binding site of Aluminium was determined in the PFKFB3 in Complex with Aluminum Tetrafluoride, PDB code: 3qpw:

Aluminium binding site 1 out of 1 in the PFKFB3 in Complex with Aluminum Tetrafluoride


Mono view


Stereo pair view

A full contact list of Aluminium with other atoms in the Al binding site number 1 of PFKFB3 in Complex with Aluminum Tetrafluoride within 5.0Å range: probe atom residue distance (Å) B Occ A:Al762 b:39.2 occ:1.00 AL A:ALF762 0.0 39.2 1.0 F4 A:ALF762 1.8 38.8 1.0 F3 A:ALF762 1.8 40.5 1.0 F2 A:ALF762 1.8 37.0 1.0 F1 A:ALF762 1.8 42.3 1.0 O A:HOH608 1.9 30.5 1.0 NE2 A:HIS253 2.1 31.8 1.0 CE1 A:HIS253 3.0 29.9 1.0 CD2 A:HIS253 3.2 29.9 1.0 O A:HOH666 3.9 42.4 1.0 NH1 A:ARG252 3.9 27.7 1.0 N A:GLN388 4.1 28.8 1.0 OE2 A:GLU322 4.2 37.9 1.0 ND1 A:HIS253 4.2 31.9 1.0 NE A:ARG252 4.3 30.5 1.0 CG A:HIS253 4.3 29.5 1.0 ND1 A:HIS387 4.3 26.9 1.0 CA A:HIS387 4.4 28.6 1.0 ND2 A:ASN259 4.5 29.8 1.0 CZ A:ARG252 4.6 30.9 1.0 CB A:HIS387 4.6 28.7 1.0 ND2 A:ASN256 4.6 39.2 1.0 CB A:GLN388 4.6 29.6 1.0 C A:HIS387 4.8 29.4 1.0 CD A:GLU322 4.8 31.9 1.0 OD1 A:ASN259 4.9 36.0 1.0 CG A:HIS387 4.9 29.2 1.0 CG A:GLU322 5.0 28.2 1.0

M.C.Cavalier, S.G.Kim, D.Neau, Y.H.Lee. Molecular Basis of the Fructose-2,6-Bisphosphatase Reaction of PFKFB3: Transition State and the C-Terminal Function. Proteins V. 80 1143 2012.
ISSN: ISSN 0887-3585
PubMed: 22275052
DOI: 10.1002/PROT.24015