Atomistry » Fluorine » PDB 461d-4azy » 4axx
Atomistry »
  Fluorine »
    PDB 461d-4azy »
      4axx »

Fluorine in PDB 4axx: The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride

Enzymatic activity of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride

All present enzymatic activity of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride:
2.7.2.3;

Protein crystallography data

The structure of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride, PDB code: 4axx was solved by M.W.Bowler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.74
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 38.820, 90.800, 108.540, 90.00, 90.00, 90.00
R / Rfree (%) 16.976 / 20.65

Other elements in 4axx:

The structure of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride (pdb code 4axx). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride, PDB code: 4axx:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 4axx

Go back to Fluorine Binding Sites List in 4axx
Fluorine binding site 1 out of 3 in the The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1422

b:16.2
occ:1.00
F1 A:BEF1422 0.0 16.2 1.0
BE A:BEF1422 1.8 15.7 1.0
MG A:MG1418 2.1 15.4 1.0
NZ A:LYS216 2.5 15.4 1.0
O A:HOH2388 2.7 16.6 1.0
O2A A:ADP1420 2.8 14.0 1.0
O2 A:3PG1421 2.9 13.2 1.0
O3B A:ADP1420 2.9 12.7 1.0
F2 A:BEF1422 3.0 17.5 1.0
O A:HOH2236 3.0 19.9 1.0
F3 A:BEF1422 3.0 15.7 1.0
O1 A:3PG1421 3.1 13.0 1.0
O1B A:ADP1420 3.1 14.2 1.0
PB A:ADP1420 3.3 13.9 1.0
C1 A:3PG1421 3.3 12.0 1.0
CE A:LYS216 3.4 16.4 1.0
CD A:LYS216 3.6 15.6 1.0
PA A:ADP1420 3.8 14.0 1.0
O3A A:ADP1420 4.0 14.4 1.0
OD2 A:ASP375 4.0 15.0 1.0
O1A A:ADP1420 4.3 15.9 1.0
O A:HOH2196 4.4 14.5 1.0
NZ A:LYS220 4.4 23.2 1.0
O2B A:ADP1420 4.7 14.6 1.0
O A:HOH2418 4.7 16.2 1.0
O A:HOH2051 4.8 17.2 1.0
C2 A:3PG1421 4.8 11.7 1.0
N A:GLY374 4.8 11.9 1.0
O4P A:3PG1421 4.8 12.0 1.0
CG A:LYS216 4.8 15.7 1.0

Fluorine binding site 2 out of 3 in 4axx

Go back to Fluorine Binding Sites List in 4axx
Fluorine binding site 2 out of 3 in the The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1422

b:17.5
occ:1.00
F2 A:BEF1422 0.0 17.5 1.0
BE A:BEF1422 1.8 15.7 1.0
O2 A:3PG1421 2.7 13.2 1.0
O1B A:ADP1420 2.7 14.2 1.0
O A:HOH2196 2.7 14.5 1.0
NZ A:LYS220 2.8 23.2 1.0
N A:GLY397 2.9 11.2 1.0
F3 A:BEF1422 2.9 15.7 1.0
F1 A:BEF1422 3.0 16.2 1.0
CE A:LYS220 3.3 23.8 1.0
O A:HOH2193 3.6 11.7 1.0
CA A:GLY397 3.7 11.7 1.0
CA A:GLY396 3.7 11.1 1.0
C A:GLY396 3.8 10.7 1.0
C1 A:3PG1421 3.9 12.0 1.0
PB A:ADP1420 4.1 13.9 1.0
NZ A:LYS216 4.2 15.4 1.0
N A:GLY396 4.3 11.1 1.0
CD A:LYS216 4.4 15.6 1.0
O A:HOH2198 4.4 27.7 1.0
OD1 A:ASN337 4.5 14.4 1.0
O1 A:3PG1421 4.5 13.0 1.0
O3B A:ADP1420 4.5 12.7 1.0
ND2 A:ASN337 4.6 12.4 1.0
MG A:MG1418 4.6 15.4 1.0
O1A A:ADP1420 4.7 15.9 1.0
CD A:LYS220 4.8 22.8 1.0
O3A A:ADP1420 4.8 14.4 1.0
O2A A:ADP1420 4.8 14.0 1.0
O A:GLY396 4.9 11.1 1.0
CE A:LYS216 4.9 16.4 1.0
O4P A:3PG1421 4.9 12.0 1.0
CG A:ASN337 5.0 11.9 1.0
PA A:ADP1420 5.0 14.0 1.0
NE2 A:HIS170 5.0 11.7 1.0
C A:GLY397 5.0 12.0 1.0

Fluorine binding site 3 out of 3 in 4axx

Go back to Fluorine Binding Sites List in 4axx
Fluorine binding site 3 out of 3 in the The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of The Catalytically Active Fully Closed Conformation of Human Phosphoglycerate Kinase in Complex with Adp 3-Phosphoglycerate and Beryllium Trifluoride within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1422

b:15.7
occ:1.00
F3 A:BEF1422 0.0 15.7 1.0
BE A:BEF1422 1.8 15.7 1.0
O2 A:3PG1421 2.7 13.2 1.0
NH2 A:ARG39 2.8 11.3 1.0
N A:GLY374 2.9 11.9 1.0
F2 A:BEF1422 2.9 17.5 1.0
F1 A:BEF1422 3.0 16.2 1.0
O1B A:ADP1420 3.0 14.2 1.0
C1 A:3PG1421 3.1 12.0 1.0
O1 A:3PG1421 3.1 13.0 1.0
O3B A:ADP1420 3.3 12.7 1.0
CA A:GLY373 3.4 11.3 1.0
O A:HOH2193 3.5 11.7 1.0
O A:HOH2388 3.5 16.6 1.0
PB A:ADP1420 3.6 13.9 1.0
C A:GLY373 3.6 11.5 1.0
N A:GLY396 3.6 11.1 1.0
CZ A:ARG39 3.8 11.5 1.0
CA A:GLY396 3.8 11.1 1.0
CA A:GLY374 3.9 12.7 1.0
MG A:MG1418 4.0 15.4 1.0
NH1 A:ARG39 4.1 11.8 1.0
O2B A:ADP1420 4.3 14.6 1.0
C2 A:3PG1421 4.3 11.7 1.0
N A:GLY397 4.6 11.2 1.0
C A:GLY395 4.6 10.9 1.0
N A:GLY373 4.7 11.5 1.0
C A:GLY396 4.8 10.7 1.0
O A:THR394 4.8 12.2 1.0
N A:ASP375 4.8 13.3 1.0
O A:GLY373 4.8 12.5 1.0
NE A:ARG39 4.9 11.6 1.0
OD1 A:ASN337 4.9 14.4 1.0
C A:GLY374 5.0 13.5 1.0
O A:HOH2196 5.0 14.5 1.0

Reference:

M.W.Bowler, M.J.Cliff, G.M.Blackburn, J.P.Waltho. Catalytic Activity in the Transitions State Analogue Stabilised Conformation of A Phosphoryl Transfer Enzyme To Be Published.
Page generated: Thu Aug 1 00:03:54 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy