Atomistry » Fluorine » PDB 3kqn-3l8s » 3ksl
Atomistry »
  Fluorine »
    PDB 3kqn-3l8s »
      3ksl »

Fluorine in PDB 3ksl: Structure of Fpt Bound to Datfp-Dh-Gpp

Enzymatic activity of Structure of Fpt Bound to Datfp-Dh-Gpp

All present enzymatic activity of Structure of Fpt Bound to Datfp-Dh-Gpp:
2.5.1.58;

Protein crystallography data

The structure of Structure of Fpt Bound to Datfp-Dh-Gpp, PDB code: 3ksl was solved by M.L.Hovlid, R.L.Edelstein, O.Henry, J.Ochocki, A.Degraw, S.Lenevich, T.Talbot, V.Young, A.W.Hruza, F.Lopez-Gallego, N.P.Labello, C.L.Strickland, C.Schmidt-Dannert, M.D.Distefano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.45 / 2.05
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 171.191, 171.191, 69.217, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 21.4

Other elements in 3ksl:

The structure of Structure of Fpt Bound to Datfp-Dh-Gpp also contains other interesting chemical elements:

Magnesium (Mg) 1 atom
Zinc (Zn) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Fpt Bound to Datfp-Dh-Gpp (pdb code 3ksl). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of Fpt Bound to Datfp-Dh-Gpp, PDB code: 3ksl:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3ksl

Go back to Fluorine Binding Sites List in 3ksl
Fluorine binding site 1 out of 6 in the Structure of Fpt Bound to Datfp-Dh-Gpp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Fpt Bound to Datfp-Dh-Gpp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F438

b:70.4
occ:0.50
 F25 B:SZH438 0.0 70.4 0.5
F25 B:SZH438 0.5 76.5 0.5
C13 B:SZH438 1.3 77.4 0.5
C13 B:SZH438 1.3 70.1 0.5
F27 B:SZH438 2.0 77.4 0.5
F26 B:SZH438 2.1 71.0 0.5
F27 B:SZH438 2.2 70.3 0.5
C3 B:SZH438 2.3 77.4 0.5
F26 B:SZH438 2.3 78.6 0.5
C3 B:SZH438 2.4 68.5 0.5
O19 B:SZH438 2.7 76.7 0.5
C4 B:SZH438 2.8 76.8 0.5
O19 B:SZH438 2.9 65.8 0.5
SG B:CYS254 2.9 25.1 1.0
C4 B:SZH438 3.0 65.6 0.5
CD2 B:TYR205 3.5 22.6 1.0
N15 B:SZH438 3.5 78.5 0.5
N15 B:SZH438 3.6 70.4 0.5
CE2 B:TYR205 3.7 22.4 1.0
CH2 B:TRP303 4.0 26.9 1.0
O22 B:SZH438 4.0 76.6 0.5
CZ3 B:TRP303 4.2 26.1 1.0
O22 B:SZH438 4.3 62.4 0.5
CG B:ARG202 4.6 39.2 1.0
CB B:CYS254 4.6 21.6 1.0
CG B:TYR205 4.6 21.9 1.0
N14 B:SZH438 4.6 79.5 0.5
N14 B:SZH438 4.7 71.9 0.5
CB B:ARG202 4.8 25.8 1.0
C11 B:SZH438 4.9 76.5 0.5
CZ2 B:TRP303 4.9 25.7 1.0
SG B:CYS206 4.9 25.1 1.0
CZ B:TYR205 5.0 29.6 1.0

Fluorine binding site 2 out of 6 in 3ksl

Go back to Fluorine Binding Sites List in 3ksl
Fluorine binding site 2 out of 6 in the Structure of Fpt Bound to Datfp-Dh-Gpp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Fpt Bound to Datfp-Dh-Gpp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F438

b:76.5
occ:0.50
 F25 B:SZH438 0.0 76.5 0.5
F25 B:SZH438 0.5 70.4 0.5
C13 B:SZH438 1.3 77.4 0.5
C13 B:SZH438 1.4 70.1 0.5
F26 B:SZH438 1.8 71.0 0.5
F26 B:SZH438 2.1 78.6 0.5
F27 B:SZH438 2.2 77.4 0.5
F27 B:SZH438 2.4 70.3 0.5
C3 B:SZH438 2.4 77.4 0.5
C3 B:SZH438 2.6 68.5 0.5
O19 B:SZH438 2.9 76.7 0.5
C4 B:SZH438 3.0 76.8 0.5
O19 B:SZH438 3.0 65.8 0.5
SG B:CYS254 3.2 25.1 1.0
C4 B:SZH438 3.2 65.6 0.5
CD2 B:TYR205 3.4 22.6 1.0
CE2 B:TYR205 3.4 22.4 1.0
N15 B:SZH438 3.6 78.5 0.5
N15 B:SZH438 3.7 70.4 0.5
CH2 B:TRP303 3.7 26.9 1.0
CZ3 B:TRP303 3.9 26.1 1.0
O22 B:SZH438 4.3 76.6 0.5
O22 B:SZH438 4.5 62.4 0.5
CG B:TYR205 4.6 21.9 1.0
CZ B:TYR205 4.7 29.6 1.0
N14 B:SZH438 4.7 79.5 0.5
CZ2 B:TRP303 4.7 25.7 1.0
N14 B:SZH438 4.8 71.9 0.5
CE2 B:TYR154 4.8 23.4 1.0
CB B:CYS254 4.9 21.6 1.0
CH2 B:TRP102 4.9 27.7 1.0
CZ B:TYR154 5.0 28.2 1.0
CE3 B:TRP303 5.0 24.5 1.0

Fluorine binding site 3 out of 6 in 3ksl

Go back to Fluorine Binding Sites List in 3ksl
Fluorine binding site 3 out of 6 in the Structure of Fpt Bound to Datfp-Dh-Gpp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Fpt Bound to Datfp-Dh-Gpp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F438

b:71.0
occ:0.50
 F26 B:SZH438 0.0 71.0 0.5
F26 B:SZH438 0.3 78.6 0.5
C13 B:SZH438 1.1 77.4 0.5
C13 B:SZH438 1.3 70.1 0.5
F25 B:SZH438 1.8 76.5 0.5
F27 B:SZH438 2.0 77.4 0.5
F25 B:SZH438 2.1 70.4 0.5
F27 B:SZH438 2.2 70.3 0.5
C3 B:SZH438 2.2 77.4 0.5
C3 B:SZH438 2.3 68.5 0.5
N15 B:SZH438 2.8 78.5 0.5
N15 B:SZH438 2.9 70.4 0.5
CH2 B:TRP102 3.1 27.7 1.0
C4 B:SZH438 3.5 76.8 0.5
C4 B:SZH438 3.6 65.6 0.5
CH2 B:TRP303 3.6 26.9 1.0
N14 B:SZH438 3.6 79.5 0.5
N14 B:SZH438 3.7 71.9 0.5
CE2 B:TYR154 3.7 23.4 1.0
O19 B:SZH438 3.8 76.7 0.5
CZ2 B:TRP102 3.9 27.9 1.0
O19 B:SZH438 3.9 65.8 0.5
CZ3 B:TRP102 4.1 27.3 1.0
CD2 B:TYR154 4.1 23.3 1.0
CE2 B:TYR205 4.3 22.4 1.0
CZ B:TYR154 4.3 28.2 1.0
O B:HOH545 4.3 36.0 1.0
CZ3 B:TRP303 4.3 26.1 1.0
OH B:TYR365 4.4 29.4 1.0
CZ2 B:TRP303 4.5 25.7 1.0
O B:HOH505 4.6 32.2 1.0
O22 B:SZH438 4.6 76.6 0.5
CD2 B:TYR205 4.6 22.6 1.0
OH B:TYR154 4.6 27.0 1.0
O22 B:SZH438 4.7 62.4 0.5
O B:HOH473 4.7 61.5 1.0
CG B:TYR154 5.0 23.3 1.0
SG B:CYS254 5.0 25.1 1.0

Fluorine binding site 4 out of 6 in 3ksl

Go back to Fluorine Binding Sites List in 3ksl
Fluorine binding site 4 out of 6 in the Structure of Fpt Bound to Datfp-Dh-Gpp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Fpt Bound to Datfp-Dh-Gpp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F438

b:78.6
occ:0.50
 F26 B:SZH438 0.0 78.6 0.5
F26 B:SZH438 0.3 71.0 0.5
C13 B:SZH438 1.3 77.4 0.5
C13 B:SZH438 1.6 70.1 0.5
F25 B:SZH438 2.1 76.5 0.5
F27 B:SZH438 2.2 77.4 0.5
C3 B:SZH438 2.3 77.4 0.5
F25 B:SZH438 2.3 70.4 0.5
F27 B:SZH438 2.4 70.3 0.5
C3 B:SZH438 2.5 68.5 0.5
N15 B:SZH438 2.8 78.5 0.5
N15 B:SZH438 2.9 70.4 0.5
CH2 B:TRP102 2.9 27.7 1.0
N14 B:SZH438 3.6 79.5 0.5
CH2 B:TRP303 3.6 26.9 1.0
CE2 B:TYR154 3.6 23.4 1.0
N14 B:SZH438 3.6 71.9 0.5
C4 B:SZH438 3.6 76.8 0.5
CZ2 B:TRP102 3.7 27.9 1.0
C4 B:SZH438 3.7 65.6 0.5
CZ3 B:TRP102 3.8 27.3 1.0
O19 B:SZH438 4.0 76.7 0.5
CD2 B:TYR154 4.0 23.3 1.0
O19 B:SZH438 4.1 65.8 0.5
O B:HOH545 4.1 36.0 1.0
OH B:TYR365 4.2 29.4 1.0
CZ B:TYR154 4.2 28.2 1.0
CZ3 B:TRP303 4.4 26.1 1.0
CZ2 B:TRP303 4.4 25.7 1.0
O B:HOH505 4.4 32.2 1.0
CE2 B:TYR205 4.4 22.4 1.0
OH B:TYR154 4.5 27.0 1.0
O22 B:SZH438 4.7 76.6 0.5
O22 B:SZH438 4.8 62.4 0.5
O B:HOH473 4.8 61.5 1.0
CD2 B:TYR205 4.8 22.6 1.0
CG B:TYR154 4.9 23.3 1.0

Fluorine binding site 5 out of 6 in 3ksl

Go back to Fluorine Binding Sites List in 3ksl
Fluorine binding site 5 out of 6 in the Structure of Fpt Bound to Datfp-Dh-Gpp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Fpt Bound to Datfp-Dh-Gpp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F438

b:70.3
occ:0.50
 F27 B:SZH438 0.0 70.3 0.5
F27 B:SZH438 0.3 77.4 0.5
C13 B:SZH438 1.4 70.1 0.5
C13 B:SZH438 1.5 77.4 0.5
F25 B:SZH438 2.2 70.4 0.5
F26 B:SZH438 2.2 71.0 0.5
C3 B:SZH438 2.3 77.4 0.5
F26 B:SZH438 2.4 78.6 0.5
C3 B:SZH438 2.4 68.5 0.5
F25 B:SZH438 2.4 76.5 0.5
N15 B:SZH438 2.8 78.5 0.5
N15 B:SZH438 2.9 70.4 0.5
O B:HOH473 3.3 61.5 1.0
C4 B:SZH438 3.5 76.8 0.5
C4 B:SZH438 3.6 65.6 0.5
N14 B:SZH438 3.6 79.5 0.5
N14 B:SZH438 3.7 71.9 0.5
SG B:CYS206 3.7 25.1 1.0
CZ2 B:TRP102 3.9 27.9 1.0
CH2 B:TRP102 3.9 27.7 1.0
O19 B:SZH438 4.1 76.7 0.5
O19 B:SZH438 4.1 65.8 0.5
CB B:ARG202 4.2 25.8 1.0
CG B:ARG202 4.3 39.2 1.0
CD B:ARG202 4.3 41.5 1.0
O22 B:SZH438 4.3 76.6 0.5
O22 B:SZH438 4.5 62.4 0.5
SG B:CYS254 4.5 25.1 1.0
CD2 B:TYR205 4.7 22.6 1.0
CD2 B:TYR154 4.8 23.3 1.0
O B:ARG202 4.9 23.8 1.0
CA B:ARG202 4.9 23.7 1.0
CE2 B:TYR205 5.0 22.4 1.0

Fluorine binding site 6 out of 6 in 3ksl

Go back to Fluorine Binding Sites List in 3ksl
Fluorine binding site 6 out of 6 in the Structure of Fpt Bound to Datfp-Dh-Gpp


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Fpt Bound to Datfp-Dh-Gpp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F438

b:77.4
occ:0.50
 F27 B:SZH438 0.0 77.4 0.5
F27 B:SZH438 0.3 70.3 0.5
C13 B:SZH438 1.3 70.1 0.5
C13 B:SZH438 1.4 77.4 0.5
F26 B:SZH438 2.0 71.0 0.5
F25 B:SZH438 2.0 70.4 0.5
F25 B:SZH438 2.2 76.5 0.5
F26 B:SZH438 2.2 78.6 0.5
C3 B:SZH438 2.4 77.4 0.5
C3 B:SZH438 2.4 68.5 0.5
N15 B:SZH438 3.0 78.5 0.5
N15 B:SZH438 3.0 70.4 0.5
C4 B:SZH438 3.6 76.8 0.5
O B:HOH473 3.6 61.5 1.0
SG B:CYS206 3.6 25.1 1.0
C4 B:SZH438 3.7 65.6 0.5
N14 B:SZH438 3.8 79.5 0.5
N14 B:SZH438 3.8 71.9 0.5
CH2 B:TRP102 3.9 27.7 1.0
CZ2 B:TRP102 4.0 27.9 1.0
O19 B:SZH438 4.1 76.7 0.5
O19 B:SZH438 4.1 65.8 0.5
CB B:ARG202 4.4 25.8 1.0
O22 B:SZH438 4.4 76.6 0.5
SG B:CYS254 4.4 25.1 1.0
CG B:ARG202 4.4 39.2 1.0
CD2 B:TYR205 4.4 22.6 1.0
CD B:ARG202 4.5 41.5 1.0
O22 B:SZH438 4.6 62.4 0.5
CD2 B:TYR154 4.7 23.3 1.0
CE2 B:TYR205 4.7 22.4 1.0
CE2 B:TYR154 4.8 23.4 1.0
O B:ARG202 4.9 23.8 1.0

Reference:

M.L.Hovlid, R.L.Edelstein, O.Henry, J.Ochocki, A.Degraw, S.Lenevich, T.Talbot, V.G.Young, A.W.Hruza, F.Lopez-Gallego, N.P.Labello, C.L.Strickland, C.Schmidt-Dannert, M.D.Distefano. Synthesis, Properties, and Applications of Diazotrifluropropanoyl-Containing Photoactive Analogs of Farnesyl Diphosphate Containing Modified Linkages For Enhanced Stability. Chem.Biol.Drug Des. V. 75 51 2010.
ISSN: ISSN 1747-0277
PubMed: 19954434
DOI: 10.1111/J.1747-0285.2009.00914.X
Page generated: Sun Dec 13 11:49:41 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