Atomistry » Fluorine » PDB 3ohh-3oyj » 3olw
Atomistry »
  Fluorine »
    PDB 3ohh-3oyj »
      3olw »

Fluorine in PDB 3olw: Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex

Protein crystallography data

The structure of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex, PDB code: 3olw was solved by R.M.Immormino, R.B.Bourret, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.93 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 54.033, 53.731, 161.804, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 22.2

Other elements in 3olw:

The structure of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex also contains other interesting chemical elements:

Manganese (Mn) 4 atoms
Chlorine (Cl) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex (pdb code 3olw). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex, PDB code: 3olw:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3olw

Go back to Fluorine Binding Sites List in 3olw
Fluorine binding site 1 out of 6 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:36.2
occ:1.00
 F1 A:BEF130 0.0 36.2 1.0
BE A:BEF130 1.4 39.8 1.0
F2 A:BEF130 2.3 31.1 1.0
F3 A:BEF130 2.4 36.6 1.0
OD1 A:ASP57 2.6 30.1 1.0
NZ A:LYS109 2.9 33.1 1.0
N A:THR88 3.0 29.9 1.0
O A:HOH209 3.1 47.7 1.0
OG1 A:THR88 3.3 38.3 1.0
CA A:THR87 3.5 26.7 1.0
CE A:LYS109 3.6 39.2 1.0
OG1 A:THR87 3.6 28.9 1.0
O A:HOH216 3.6 48.5 1.0
C A:THR87 3.7 32.6 1.0
CD A:LYS109 3.7 34.0 1.0
CG A:ASP57 3.8 33.0 1.0
CB A:THR88 3.9 38.8 1.0
CG2 A:THR88 3.9 34.6 1.0
CB A:THR87 4.0 30.0 1.0
CA A:THR88 4.0 30.5 1.0
O2 A:GOL135 4.1 45.9 0.8
O A:HOH157 4.1 39.7 1.0
MN A:MN131 4.2 39.4 1.0
OD2 A:ASP57 4.2 27.4 1.0
O A:VAL86 4.5 32.1 1.0
N A:THR87 4.7 30.4 1.0
ND2 A:ASN59 4.7 41.4 1.0
CG A:LYS109 4.7 35.4 1.0
N A:TRP58 4.7 33.2 1.0
O A:THR87 4.8 32.8 1.0
N A:ASN59 4.9 32.3 1.0
O1 A:GOL135 5.0 41.0 0.8

Fluorine binding site 2 out of 6 in 3olw

Go back to Fluorine Binding Sites List in 3olw
Fluorine binding site 2 out of 6 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:31.1
occ:1.00
 F2 A:BEF130 0.0 31.1 1.0
BE A:BEF130 1.4 39.8 1.0
MN A:MN131 2.2 39.4 1.0
F1 A:BEF130 2.3 36.2 1.0
F3 A:BEF130 2.3 36.6 1.0
OD1 A:ASP57 2.6 30.1 1.0
O A:HOH216 2.6 48.5 1.0
OD2 A:ASP57 2.9 27.4 1.0
CG A:ASP57 3.1 33.0 1.0
O A:HOH209 3.2 47.7 1.0
O A:ASN59 3.3 36.3 1.0
O A:HOH146 3.3 38.5 1.0
O A:HOH157 3.3 39.7 1.0
N A:ASN59 3.4 32.3 1.0
CB A:ASN59 3.4 33.0 1.0
CA A:ASN59 3.8 33.9 1.0
ND2 A:ASN59 3.8 41.4 1.0
C A:ASN59 3.9 40.1 1.0
CG A:ASN59 4.1 46.6 1.0
NZ A:LYS109 4.1 33.1 1.0
N A:TRP58 4.4 33.2 1.0
OG1 A:THR88 4.4 38.3 1.0
OD1 A:ASP13 4.5 40.5 1.0
C A:TRP58 4.5 30.6 1.0
CB A:ASP57 4.6 26.5 1.0
O2 A:GOL135 4.7 45.9 0.8
OG1 A:THR87 4.8 28.9 1.0
O A:HOH175 4.8 44.1 1.0
O3 A:GOL135 4.8 58.5 0.8
CA A:TRP58 4.9 31.0 1.0

Fluorine binding site 3 out of 6 in 3olw

Go back to Fluorine Binding Sites List in 3olw
Fluorine binding site 3 out of 6 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F130

b:36.6
occ:1.00
 F3 A:BEF130 0.0 36.6 1.0
BE A:BEF130 1.4 39.8 1.0
F2 A:BEF130 2.3 31.1 1.0
F1 A:BEF130 2.4 36.2 1.0
OD1 A:ASP57 2.5 30.1 1.0
OG1 A:THR87 2.6 28.9 1.0
N A:ASN59 2.9 32.3 1.0
N A:TRP58 3.0 33.2 1.0
CB A:TRP58 3.2 30.7 1.0
CB A:THR87 3.3 30.0 1.0
CA A:TRP58 3.4 31.0 1.0
ND2 A:ASN59 3.4 41.4 1.0
CG A:ASP57 3.5 33.0 1.0
C A:TRP58 3.6 30.6 1.0
O A:HOH216 3.8 48.5 1.0
CG A:ASN59 3.8 46.6 1.0
CA A:THR87 3.8 26.7 1.0
CB A:ASN59 3.9 33.0 1.0
CA A:ASN59 3.9 33.9 1.0
N A:THR88 3.9 29.9 1.0
OD2 A:ASP57 4.0 27.4 1.0
OG1 A:THR88 4.1 38.3 1.0
C A:ASP57 4.2 32.3 1.0
MN A:MN131 4.3 39.4 1.0
C A:THR87 4.4 32.6 1.0
CG A:TRP58 4.4 37.9 1.0
CG A:GLU89 4.5 38.9 1.0
CA A:ASP57 4.6 25.8 1.0
OD1 A:ASN59 4.6 47.7 1.0
O A:ASN59 4.6 36.3 1.0
CB A:ASP57 4.6 26.5 1.0
O A:HOH209 4.7 47.7 1.0
CG2 A:THR87 4.7 26.8 1.0
C A:ASN59 4.7 40.1 1.0
O A:TRP58 4.8 34.6 1.0
NZ A:LYS109 4.8 33.1 1.0
N A:GLU89 4.9 30.2 1.0
O A:VAL86 5.0 32.1 1.0
CA A:THR88 5.0 30.5 1.0

Fluorine binding site 4 out of 6 in 3olw

Go back to Fluorine Binding Sites List in 3olw
Fluorine binding site 4 out of 6 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:33.1
occ:1.00
 F1 B:BEF130 0.0 33.1 1.0
BE B:BEF130 1.4 40.0 1.0
F2 B:BEF130 2.3 35.4 1.0
F3 B:BEF130 2.4 35.0 1.0
OD1 B:ASP57 2.6 33.3 1.0
N B:THR88 2.9 35.9 1.0
NZ B:LYS109 3.0 41.9 1.0
CA B:THR87 3.4 32.2 1.0
OG1 B:THR88 3.4 46.6 1.0
OG1 B:THR87 3.5 35.4 1.0
CD B:LYS109 3.6 37.5 1.0
C B:THR87 3.6 36.7 1.0
CE B:LYS109 3.6 38.9 1.0
CG B:ASP57 3.7 34.9 1.0
CG2 B:THR88 3.8 44.4 1.0
CB B:THR88 3.9 40.6 1.0
CB B:THR87 3.9 32.5 1.0
CA B:THR88 4.0 39.7 1.0
O2 B:GOL135 4.0 43.5 0.8
O B:HOH147 4.1 36.9 1.0
OD2 B:ASP57 4.2 33.6 1.0
MN B:MN131 4.3 36.9 1.0
O B:VAL86 4.4 33.7 1.0
N B:THR87 4.6 30.3 1.0
N B:TRP58 4.7 34.7 1.0
CG B:LYS109 4.7 40.0 1.0
O B:THR87 4.8 37.7 1.0
OD2 B:ASP12 4.9 37.8 1.0
C B:VAL86 4.9 35.4 1.0
N B:GLU89 4.9 40.9 1.0
CB B:ASP57 4.9 30.0 1.0

Fluorine binding site 5 out of 6 in 3olw

Go back to Fluorine Binding Sites List in 3olw
Fluorine binding site 5 out of 6 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:35.4
occ:1.00
 F2 B:BEF130 0.0 35.4 1.0
BE B:BEF130 1.4 40.0 1.0
MN B:MN131 2.3 36.9 1.0
F3 B:BEF130 2.3 35.0 1.0
F1 B:BEF130 2.3 33.1 1.0
OD1 B:ASP57 2.6 33.3 1.0
OD2 B:ASP57 2.9 33.6 1.0
CG B:ASP57 3.1 34.9 1.0
O B:HOH147 3.1 36.9 1.0
O B:HOH154 3.3 41.3 1.0
O B:ASN59 3.5 38.8 1.0
CB B:ASN59 3.6 38.1 0.3
N B:ASN59 3.7 29.8 1.0
CB B:ASN59 3.7 38.0 0.7
CA B:ASN59 4.0 36.5 0.3
CA B:ASN59 4.0 36.5 0.7
C B:ASN59 4.1 40.9 1.0
ND2 B:ASN59 4.1 38.3 0.7
NZ B:LYS109 4.1 41.9 1.0
CG B:ASN59 4.3 42.5 0.7
N B:TRP58 4.4 34.7 1.0
OG1 B:THR88 4.4 46.6 1.0
OD1 B:ASP13 4.5 40.1 1.0
O2 B:GOL135 4.6 43.5 0.8
CB B:ASP57 4.6 30.0 1.0
OG1 B:THR87 4.6 35.4 1.0
CG B:ASN59 4.7 40.5 0.3
C B:TRP58 4.7 37.8 1.0
ND2 B:ASN59 4.8 43.0 0.3
O B:HOH239 4.9 55.2 1.0
N B:THR88 5.0 35.9 1.0
OD2 B:ASP12 5.0 37.8 1.0

Fluorine binding site 6 out of 6 in 3olw

Go back to Fluorine Binding Sites List in 3olw
Fluorine binding site 6 out of 6 in the Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structural and Functional Effects of Substitution at Position T+1 in Chey: CHEYA88T-BEF3-Mn Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F130

b:35.0
occ:1.00
 F3 B:BEF130 0.0 35.0 1.0
BE B:BEF130 1.4 40.0 1.0
F2 B:BEF130 2.3 35.4 1.0
F1 B:BEF130 2.4 33.1 1.0
OG1 B:THR87 2.5 35.4 1.0
OD1 B:ASP57 2.7 33.3 1.0
N B:ASN59 2.9 29.8 1.0
N B:TRP58 3.1 34.7 1.0
CB B:TRP58 3.4 37.6 1.0
CB B:THR87 3.5 32.5 1.0
CA B:TRP58 3.5 34.9 1.0
ND2 B:ASN59 3.5 38.3 0.7
CG B:ASP57 3.5 34.9 1.0
C B:TRP58 3.7 37.8 1.0
CB B:ASN59 3.7 38.1 0.3
CG B:ASN59 3.8 42.5 0.7
CB B:ASN59 3.8 38.0 0.7
CA B:ASN59 3.8 36.5 0.3
CA B:ASN59 3.8 36.5 0.7
CA B:THR87 3.9 32.2 1.0
N B:THR88 3.9 35.9 1.0
OD2 B:ASP57 3.9 33.6 1.0
OG1 B:THR88 4.1 46.6 1.0
MN B:MN131 4.3 36.9 1.0
C B:ASP57 4.3 36.2 1.0
C B:THR87 4.4 36.7 1.0
OD1 B:ASN59 4.5 39.4 0.7
O B:ASN59 4.6 38.8 1.0
CG B:TRP58 4.6 41.5 1.0
C B:ASN59 4.6 40.9 1.0
CA B:ASP57 4.7 30.8 1.0
N B:GLU89 4.7 40.9 1.0
CB B:ASP57 4.7 30.0 1.0
CG2 B:THR87 4.8 30.5 1.0
O B:TRP58 4.9 40.8 1.0
CA B:THR88 5.0 39.7 1.0
NZ B:LYS109 5.0 41.9 1.0

Reference:

R.M.Immormino, R.E.Silversmith, R.B.Bourret. A Variable Active Site Residue Influences the Kinetics of Response Regulator Phosphorylation and Dephosphorylation. Biochemistry V. 55 5595 2016.
ISSN: ISSN 0006-2960
PubMed: 27589219
DOI: 10.1021/ACS.BIOCHEM.6B00645
Page generated: Sun Dec 13 11:52:22 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