Atomistry » Fluorine » PDB 1q6n-1rrx » 1qf9
Atomistry »
  Fluorine »
    PDB 1q6n-1rrx »
      1qf9 »

Fluorine in PDB 1qf9: pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase

Enzymatic activity of pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase

All present enzymatic activity of pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase:
2.7.4.14;

Protein crystallography data

The structure of pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase, PDB code: 1qf9 was solved by I.Schlichting, J.Reinstein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.70
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.000, 78.000, 100.600, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 24.4

Other elements in 1qf9:

The structure of pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Aluminium (Al) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase (pdb code 1qf9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase, PDB code: 1qf9:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 1qf9

Go back to Fluorine Binding Sites List in 1qf9
Fluorine binding site 1 out of 4 in the pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F499

b:27.8
occ:1.00
 F1 A:ALF499 0.0 27.8 1.0
AL A:ALF499 1.7 23.9 1.0
F3 A:ALF499 2.3 29.5 1.0
F4 A:ALF499 2.4 24.7 1.0
O3B A:ADP195 2.7 12.7 1.0
O3P A:C5P196 2.7 16.1 1.0
NH2 A:ARG148 2.9 19.3 1.0
CA A:PRO15 3.0 15.4 1.0
NH1 A:ARG148 3.1 22.1 1.0
N A:GLY16 3.2 13.7 1.0
NH2 A:ARG93 3.3 15.7 1.0
F2 A:ALF499 3.3 24.9 1.0
CZ A:ARG148 3.4 26.1 1.0
NZ A:LYS19 3.5 9.5 1.0
C A:PRO15 3.6 14.2 1.0
CB A:PRO15 3.7 15.8 1.0
N A:PRO15 4.0 15.7 1.0
PB A:ADP195 4.1 14.1 1.0
P A:C5P196 4.1 15.9 1.0
O A:GLY14 4.1 16.4 1.0
O1B A:ADP195 4.3 13.8 1.0
O2P A:C5P196 4.3 14.4 1.0
O A:HOH712 4.4 22.4 0.9
C A:GLY14 4.4 16.7 1.0
CA A:GLY16 4.5 13.1 1.0
CE A:LYS19 4.5 14.0 1.0
CZ A:ARG93 4.6 17.2 1.0
CG A:PRO15 4.6 15.7 1.0
NE A:ARG148 4.7 25.0 1.0
O2B A:ADP195 4.7 13.4 1.0
NH2 A:ARG137 4.8 14.3 1.0
O A:PRO15 4.8 13.5 1.0
O A:HOH198 4.8 29.7 1.0
MG A:MG500 4.9 19.2 1.0
O5' A:C5P196 4.9 13.8 1.0

Fluorine binding site 2 out of 4 in 1qf9

Go back to Fluorine Binding Sites List in 1qf9
Fluorine binding site 2 out of 4 in the pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F499

b:24.9
occ:1.00
 F2 A:ALF499 0.0 24.9 1.0
AL A:ALF499 1.6 23.9 1.0
MG A:MG500 2.3 19.2 1.0
F4 A:ALF499 2.3 24.7 1.0
F3 A:ALF499 2.4 29.5 1.0
O3P A:C5P196 2.5 16.1 1.0
O3B A:ADP195 2.5 12.7 1.0
NH1 A:ARG137 2.8 16.0 1.0
O A:HOH215 3.2 14.5 1.0
P A:C5P196 3.2 15.9 1.0
O1P A:C5P196 3.3 16.3 1.0
O2B A:ADP195 3.3 13.4 1.0
O A:HOH220 3.3 12.5 1.0
F1 A:ALF499 3.3 27.8 1.0
NH1 A:ARG131 3.3 12.7 1.0
PB A:ADP195 3.5 14.1 1.0
NH2 A:ARG137 3.6 14.3 1.0
CZ A:ARG137 3.6 16.9 1.0
O A:HOH198 3.7 29.7 1.0
O2P A:C5P196 3.8 14.4 1.0
NH2 A:ARG131 4.0 15.1 1.0
CZ A:ARG131 4.0 16.4 1.0
O3A A:ADP195 4.3 13.8 1.0
O A:HOH553 4.4 15.5 0.8
O A:HOH227 4.6 23.4 1.0
O2A A:ADP195 4.6 11.3 1.0
O1B A:ADP195 4.6 13.8 1.0
O5' A:C5P196 4.7 13.8 1.0
NH1 A:ARG148 4.7 22.1 1.0
NE A:ARG137 4.9 18.6 1.0
NH2 A:ARG148 4.9 19.3 1.0

Fluorine binding site 3 out of 4 in 1qf9

Go back to Fluorine Binding Sites List in 1qf9
Fluorine binding site 3 out of 4 in the pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F499

b:29.5
occ:1.00
 F3 A:ALF499 0.0 29.5 1.0
AL A:ALF499 1.6 23.9 1.0
F1 A:ALF499 2.3 27.8 1.0
F2 A:ALF499 2.4 24.9 1.0
O3P A:C5P196 2.5 16.1 1.0
O3B A:ADP195 2.5 12.7 1.0
O A:HOH198 2.6 29.7 1.0
O2P A:C5P196 2.9 14.4 1.0
NZ A:LYS19 3.0 9.5 1.0
MG A:MG500 3.0 19.2 1.0
P A:C5P196 3.2 15.9 1.0
CE A:LYS19 3.3 14.0 1.0
O2B A:ADP195 3.3 13.4 1.0
PB A:ADP195 3.3 14.1 1.0
NH2 A:ARG93 3.3 15.7 1.0
F4 A:ALF499 3.3 24.7 1.0
O1B A:ADP195 3.7 13.8 1.0
O1P A:C5P196 4.0 16.3 1.0
CZ A:ARG93 4.3 17.2 1.0
O A:HOH215 4.3 14.5 1.0
NH2 A:ARG148 4.4 19.3 1.0
NH1 A:ARG93 4.4 14.5 1.0
O5' A:C5P196 4.5 13.8 1.0
N A:GLY16 4.7 13.7 1.0
O3A A:ADP195 4.7 13.8 1.0
CD A:LYS19 4.7 15.6 1.0
O A:HOH208 4.7 21.8 1.0
O A:HOH227 4.8 23.4 1.0
OD1 A:ASP89 4.8 14.4 1.0
O A:HOH220 5.0 12.5 1.0
NH1 A:ARG148 5.0 22.1 1.0

Fluorine binding site 4 out of 4 in 1qf9

Go back to Fluorine Binding Sites List in 1qf9
Fluorine binding site 4 out of 4 in the pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog in Ump/Cmp Kinase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F499

b:24.7
occ:1.00
 F4 A:ALF499 0.0 24.7 1.0
AL A:ALF499 1.7 23.9 1.0
F2 A:ALF499 2.3 24.9 1.0
F1 A:ALF499 2.4 27.8 1.0
O3B A:ADP195 2.7 12.7 1.0
NH1 A:ARG148 2.7 22.1 1.0
NH2 A:ARG131 2.7 15.1 1.0
O3P A:C5P196 2.8 16.1 1.0
NH1 A:ARG131 3.1 12.7 1.0
NH2 A:ARG137 3.2 14.3 1.0
F3 A:ALF499 3.3 29.5 1.0
CZ A:ARG131 3.3 16.4 1.0
NH1 A:ARG137 3.5 16.0 1.0
CZ A:ARG148 3.6 26.1 1.0
CZ A:ARG137 3.6 16.9 1.0
NH2 A:ARG148 3.7 19.3 1.0
N A:GLY16 3.9 13.7 1.0
CD2 A:LEU128 4.0 14.1 1.0
P A:C5P196 4.1 15.9 1.0
PB A:ADP195 4.2 14.1 1.0
O A:HOH810 4.4 27.4 1.0
MG A:MG500 4.5 19.2 1.0
CA A:PRO15 4.5 15.4 1.0
CA A:GLY16 4.5 13.1 1.0
C A:PRO15 4.6 14.2 1.0
O1P A:C5P196 4.6 16.3 1.0
NE A:ARG131 4.7 16.3 1.0
NE A:ARG137 4.7 18.6 1.0
O3A A:ADP195 4.7 13.8 1.0
O2B A:ADP195 4.7 13.4 1.0
NE A:ARG148 4.7 25.0 1.0
CB A:PRO15 4.8 15.8 1.0
OD1 A:ASP140 5.0 16.2 1.0

Reference:

I.Schlichting, J.Reinstein. pH Influences Fluoride Coordination Number of the Alfx Phosphoryl Transfer Transition State Analog. Nat.Struct.Biol. V. 6 721 1999.
ISSN: ISSN 1072-8368
PubMed: 10426946
DOI: 10.1038/11485
Page generated: Wed Jul 31 12:32:11 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