Atomistry » Fluorine » PDB 3ptm-3qri » 3qpw
Atomistry »
  Fluorine »
    PDB 3ptm-3qri »
      3qpw »

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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 3qpw:

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

Aluminium (Al) 1 atom
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the PFKFB3 in Complex with Aluminum Tetrafluoride (pdb code 3qpw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the PFKFB3 in Complex with Aluminum Tetrafluoride, PDB code: 3qpw:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 3qpw

Go back to Fluorine Binding Sites List in 3qpw
Fluorine binding site 1 out of 4 in the PFKFB3 in Complex with Aluminum Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of PFKFB3 in Complex with Aluminum Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F762

b:42.3
occ:1.00
F1 A:ALF762 0.0 42.3 1.0
AL A:ALF762 1.8 39.2 1.0
F4 A:ALF762 2.5 38.8 1.0
O A:HOH608 2.5 30.5 1.0
F3 A:ALF762 2.5 40.5 1.0
NE2 A:HIS253 2.8 31.8 1.0
O A:HOH666 2.8 42.4 1.0
CE1 A:HIS253 3.3 29.9 1.0
ND2 A:ASN256 3.5 39.2 1.0
F2 A:ALF762 3.6 37.0 1.0
ND2 A:ASN259 3.9 29.8 1.0
CD2 A:HIS253 4.0 29.9 1.0
O A:HOH643 4.3 39.0 1.0
CG A:ASN256 4.5 40.5 1.0
ND1 A:HIS253 4.5 31.9 1.0
OD1 A:ASN256 4.6 38.9 1.0
ND1 A:HIS387 4.6 26.9 1.0
OD1 A:ASN259 4.6 36.0 1.0
CG A:ASN259 4.7 37.7 1.0
OE2 A:GLU322 4.8 37.9 1.0
CG A:HIS253 4.8 29.5 1.0
O A:HOH547 4.8 35.6 1.0
CG A:GLU322 4.9 28.2 1.0

Fluorine binding site 2 out of 4 in 3qpw

Go back to Fluorine Binding Sites List in 3qpw
Fluorine binding site 2 out of 4 in the PFKFB3 in Complex with Aluminum Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of PFKFB3 in Complex with Aluminum Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F762

b:37.0
occ:1.00
F2 A:ALF762 0.0 37.0 1.0
AL A:ALF762 1.8 39.2 1.0
F4 A:ALF762 2.5 38.8 1.0
F3 A:ALF762 2.6 40.5 1.0
NE2 A:HIS253 2.7 31.8 1.0
NE A:ARG252 2.7 30.5 1.0
N A:GLN388 2.7 28.8 1.0
O A:HOH608 2.8 30.5 1.0
NH1 A:ARG252 3.2 27.7 1.0
CD2 A:HIS253 3.3 29.9 1.0
CZ A:ARG252 3.4 30.9 1.0
CA A:HIS387 3.5 28.6 1.0
CB A:GLN388 3.5 29.6 1.0
C A:HIS387 3.5 29.4 1.0
F1 A:ALF762 3.6 42.3 1.0
CA A:GLN388 3.6 30.7 1.0
CE1 A:HIS253 3.7 29.9 1.0
CG A:ARG252 3.7 31.3 1.0
CD A:ARG252 3.7 28.0 1.0
CB A:ARG252 3.9 30.6 1.0
CB A:HIS387 4.2 28.7 1.0
OE2 A:GLU322 4.3 37.9 1.0
CG A:HIS253 4.5 29.5 1.0
ND1 A:HIS253 4.6 31.9 1.0
N A:HIS387 4.7 29.3 1.0
ND1 A:HIS387 4.7 26.9 1.0
O A:CYS386 4.7 30.1 1.0
NH2 A:ARG252 4.7 31.4 1.0
O A:HIS387 4.7 28.3 1.0
CG A:HIS387 4.9 29.2 1.0
CG A:GLN388 4.9 31.0 1.0
CA A:ARG252 5.0 31.6 1.0
CD2 A:LEU413 5.0 36.7 1.0
CD A:GLU322 5.0 31.9 1.0

Fluorine binding site 3 out of 4 in 3qpw

Go back to Fluorine Binding Sites List in 3qpw
Fluorine binding site 3 out of 4 in the PFKFB3 in Complex with Aluminum Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of PFKFB3 in Complex with Aluminum Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F762

b:40.5
occ:1.00
F3 A:ALF762 0.0 40.5 1.0
AL A:ALF762 1.8 39.2 1.0
F1 A:ALF762 2.5 42.3 1.0
F2 A:ALF762 2.6 37.0 1.0
ND1 A:HIS387 2.6 26.9 1.0
O A:HOH608 2.6 30.5 1.0
NE2 A:HIS253 2.8 31.8 1.0
O A:HOH666 3.0 42.4 1.0
CB A:HIS387 3.1 28.7 1.0
CD2 A:HIS253 3.1 29.9 1.0
CG A:HIS387 3.2 29.2 1.0
CA A:HIS387 3.4 28.6 1.0
F4 A:ALF762 3.6 38.8 1.0
OE2 A:GLU322 3.6 37.9 1.0
N A:GLN388 3.8 28.8 1.0
CG A:GLU322 3.8 28.2 1.0
CD A:GLU322 3.8 31.9 1.0
CE1 A:HIS387 3.8 25.3 1.0
CE1 A:HIS253 4.0 29.9 1.0
CB A:GLU322 4.0 26.1 1.0
C A:HIS387 4.1 29.4 1.0
CG A:HIS253 4.4 29.5 1.0
CD2 A:HIS387 4.5 24.9 1.0
N A:HIS387 4.6 29.3 1.0
OE1 A:GLU322 4.6 30.5 1.0
O A:CYS386 4.7 30.1 1.0
O A:HOH643 4.7 39.0 1.0
NE2 A:HIS387 4.8 27.6 1.0
ND1 A:HIS253 4.8 31.9 1.0

Fluorine binding site 4 out of 4 in 3qpw

Go back to Fluorine Binding Sites List in 3qpw
Fluorine binding site 4 out of 4 in the PFKFB3 in Complex with Aluminum Tetrafluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of PFKFB3 in Complex with Aluminum Tetrafluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F762

b:38.8
occ:1.00
F4 A:ALF762 0.0 38.8 1.0
AL A:ALF762 1.8 39.2 1.0
F1 A:ALF762 2.5 42.3 1.0
F2 A:ALF762 2.5 37.0 1.0
O A:HOH608 2.6 30.5 1.0
NE2 A:HIS253 2.7 31.8 1.0
NH1 A:ARG252 2.8 27.7 1.0
CE1 A:HIS253 2.9 29.9 1.0
ND2 A:ASN259 3.0 29.8 1.0
F3 A:ALF762 3.6 40.5 1.0
OD1 A:ASN259 3.6 36.0 1.0
CG A:ASN259 3.7 37.7 1.0
CZ A:ARG252 3.7 30.9 1.0
NE A:ARG252 3.9 30.5 1.0
CD2 A:HIS253 4.0 29.9 1.0
ND1 A:HIS253 4.2 31.9 1.0
CD2 A:LEU413 4.3 36.7 1.0
ND2 A:ASN256 4.7 39.2 1.0
CG A:HIS253 4.8 29.5 1.0
CB A:GLN388 4.9 29.6 1.0
NH2 A:ARG252 5.0 31.4 1.0

Reference:

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
Page generated: Sun Dec 13 11:53:56 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy