Atomistry » Fluorine » PDB 6qy8-6rkn » 6rgy
Atomistry »
  Fluorine »
    PDB 6qy8-6rkn »
      6rgy »

Fluorine in PDB 6rgy: Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5

Protein crystallography data

The structure of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5, PDB code: 6rgy was solved by C.Mideros-Mora, P.Casino, A.Marina, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 87.11 / 2.20
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 68.470, 92.710, 174.522, 90.00, 93.39, 90.00
R / Rfree (%) 18.6 / 22.7

Other elements in 6rgy:

The structure of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5 also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5 (pdb code 6rgy). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5, PDB code: 6rgy:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 6rgy

Go back to Fluorine Binding Sites List in 6rgy
Fluorine binding site 1 out of 6 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F53

b:43.8
occ:1.00
F1 C:BFD53 0.0 43.8 1.0
BE C:BFD53 1.7 39.9 1.0
MG C:MG201 1.8 42.9 1.0
OD1 C:BFD53 2.7 33.9 1.0
O C:HOH311 2.7 48.5 1.0
O C:HOH327 2.8 38.1 1.0
OD2 C:BFD53 2.8 40.2 1.0
F2 C:BFD53 2.8 42.5 1.0
O C:MET55 2.8 39.2 1.0
O A:HOH680 2.9 47.0 1.0
F3 C:BFD53 2.9 46.4 1.0
CG C:BFD53 3.1 37.8 1.0
CB C:MET55 3.5 44.1 1.0
C C:MET55 3.7 40.2 1.0
N C:MET55 3.7 38.7 1.0
CA C:MET55 3.8 39.9 1.0
OD1 C:ASP10 3.8 45.1 1.0
O A:HOH684 4.1 43.8 1.0
NZ C:LYS105 4.3 35.0 1.0
CG C:MET55 4.4 49.6 1.0
CB C:BFD53 4.6 34.4 1.0
C C:ILE54 4.8 42.5 1.0
N C:ILE54 4.8 39.9 1.0
CG C:ASP10 4.8 46.8 1.0
OD1 C:ASP9 4.9 41.1 1.0
SD C:MET55 4.9 62.9 1.0
N C:MET56 4.9 42.6 1.0

Fluorine binding site 2 out of 6 in 6rgy

Go back to Fluorine Binding Sites List in 6rgy
Fluorine binding site 2 out of 6 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F53

b:42.5
occ:1.00
F2 C:BFD53 0.0 42.5 1.0
BE C:BFD53 1.7 39.9 1.0
F1 C:BFD53 2.8 43.8 1.0
N C:ALA84 2.8 35.5 1.0
O A:HOH680 2.8 47.0 1.0
F3 C:BFD53 2.8 46.4 1.0
NZ C:LYS105 3.0 35.0 1.0
OD1 C:BFD53 3.1 33.9 1.0
CB C:ALA84 3.2 39.8 1.0
CD C:LYS105 3.4 33.4 1.0
CE C:LYS105 3.5 35.1 1.0
CA C:ALA84 3.6 39.7 1.0
C C:THR83 3.7 33.9 1.0
CA C:THR83 3.8 34.4 1.0
O C:HOH311 3.8 48.5 1.0
OG1 C:THR83 4.1 38.6 1.0
CG C:BFD53 4.2 37.8 1.0
MG C:MG201 4.4 42.9 1.0
CB C:THR83 4.5 36.6 1.0
OD2 C:BFD53 4.6 40.2 1.0
CG C:LYS105 4.6 33.1 1.0
O C:HOH334 4.7 28.7 1.0
O A:HOH684 4.7 43.8 1.0
C C:ALA84 4.7 41.8 1.0
N C:LYS85 4.8 44.7 1.0
O C:LEU82 4.8 38.5 1.0
O C:THR83 4.8 36.4 1.0
N C:THR83 4.9 36.1 1.0

Fluorine binding site 3 out of 6 in 6rgy

Go back to Fluorine Binding Sites List in 6rgy
Fluorine binding site 3 out of 6 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F53

b:46.4
occ:1.00
F3 C:BFD53 0.0 46.4 1.0
BE C:BFD53 1.7 39.9 1.0
OG1 C:THR83 2.7 38.6 1.0
OD1 C:BFD53 2.8 33.9 1.0
F2 C:BFD53 2.8 42.5 1.0
N C:MET55 2.9 38.7 1.0
F1 C:BFD53 2.9 43.8 1.0
N C:ILE54 3.4 39.9 1.0
CG C:MET55 3.5 49.6 1.0
CB C:ILE54 3.5 40.6 1.0
CB C:MET55 3.6 44.1 1.0
CA C:ILE54 3.7 40.2 1.0
CB C:THR83 3.7 36.6 1.0
C C:ILE54 3.8 42.5 1.0
CA C:MET55 3.8 39.9 1.0
N C:ALA84 3.8 35.5 1.0
CG C:BFD53 3.9 37.8 1.0
CA C:THR83 4.1 34.4 1.0
SD C:MET55 4.2 62.9 1.0
OD2 C:BFD53 4.4 40.2 1.0
O A:HOH680 4.4 47.0 1.0
N C:LYS85 4.4 44.7 1.0
C C:THR83 4.4 33.9 1.0
CG1 C:ILE54 4.4 40.6 1.0
CG2 C:ILE54 4.4 43.7 1.0
O C:MET55 4.5 39.2 1.0
C C:BFD53 4.5 39.5 1.0
MG C:MG201 4.5 42.9 1.0
CD C:LYS85 4.6 65.8 1.0
C C:MET55 4.6 40.2 1.0
CB C:ALA84 4.7 39.8 1.0
CA C:ALA84 4.7 39.7 1.0
CA C:BFD53 4.9 37.9 1.0
CB C:LYS85 4.9 52.0 1.0
O C:ILE54 5.0 41.9 1.0
CB C:BFD53 5.0 34.4 1.0
CG2 C:THR83 5.0 36.8 1.0
CG C:LYS85 5.0 61.2 1.0

Fluorine binding site 4 out of 6 in 6rgy

Go back to Fluorine Binding Sites List in 6rgy
Fluorine binding site 4 out of 6 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F53

b:38.9
occ:1.00
F1 D:BFD53 0.0 38.9 1.0
BE D:BFD53 1.7 38.0 1.0
MG D:MG201 1.9 41.3 1.0
O D:HOH319 2.5 38.0 1.0
OD1 D:BFD53 2.5 38.2 1.0
O D:HOH327 2.6 39.8 1.0
OD2 D:BFD53 2.7 41.1 1.0
F2 D:BFD53 2.7 41.1 1.0
O D:MET55 2.8 36.5 1.0
O B:HOH671 2.9 48.5 1.0
F3 D:BFD53 2.9 46.4 1.0
CG D:BFD53 3.0 39.6 1.0
CB D:MET55 3.6 47.3 1.0
N D:MET55 3.7 39.3 1.0
C D:MET55 3.7 41.5 1.0
CA D:MET55 3.8 42.1 1.0
OD1 D:ASP10 3.9 46.2 1.0
O B:HOH657 4.0 58.2 1.0
O B:HOH678 4.2 46.9 1.0
NZ D:LYS105 4.3 40.8 1.0
CB D:BFD53 4.5 36.8 1.0
OD1 D:ASP9 4.6 42.6 1.0
CG D:MET55 4.6 55.3 1.0
C D:ILE54 4.8 42.8 1.0
N D:ILE54 4.8 41.5 1.0
SD D:MET55 4.8 65.6 1.0
CG D:ASP10 4.9 46.3 1.0
O B:HOH614 5.0 55.0 1.0
N D:MET56 5.0 43.1 1.0

Fluorine binding site 5 out of 6 in 6rgy

Go back to Fluorine Binding Sites List in 6rgy
Fluorine binding site 5 out of 6 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F53

b:41.1
occ:1.00
F2 D:BFD53 0.0 41.1 1.0
BE D:BFD53 1.7 38.0 1.0
F1 D:BFD53 2.7 38.9 1.0
NZ D:LYS105 2.8 40.8 1.0
F3 D:BFD53 2.8 46.4 1.0
O B:HOH671 2.9 48.5 1.0
N D:ALA84 2.9 35.1 1.0
OD1 D:BFD53 2.9 38.2 1.0
CD D:LYS105 3.3 36.0 1.0
CB D:ALA84 3.3 38.4 1.0
CE D:LYS105 3.4 39.2 1.0
O D:HOH319 3.7 38.0 1.0
CA D:THR83 3.7 34.8 1.0
CA D:ALA84 3.7 39.0 1.0
C D:THR83 3.7 34.7 1.0
O B:HOH614 3.8 55.0 1.0
CG D:BFD53 4.0 39.6 1.0
OG1 D:THR83 4.1 41.7 1.0
MG D:MG201 4.3 41.3 1.0
OD2 D:BFD53 4.4 41.1 1.0
CB D:THR83 4.5 38.8 1.0
O B:HOH622 4.5 54.8 1.0
O D:LEU82 4.6 39.5 1.0
CG D:LYS105 4.6 35.8 1.0
O D:HOH337 4.7 31.3 1.0
N D:THR83 4.7 36.8 1.0
O B:HOH678 4.8 46.9 1.0
C D:ALA84 4.9 41.9 1.0
O D:THR83 4.9 35.2 1.0
OD2 D:ASP9 4.9 44.1 1.0
N D:LYS85 5.0 45.0 1.0
O D:HOH327 5.0 39.8 1.0

Fluorine binding site 6 out of 6 in 6rgy

Go back to Fluorine Binding Sites List in 6rgy
Fluorine binding site 6 out of 6 in the Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Revisiting pH-Gated Conformational Switch. Complex HK853-RR468 pH 7.5 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F53

b:46.4
occ:1.00
F3 D:BFD53 0.0 46.4 1.0
BE D:BFD53 1.7 38.0 1.0
OG1 D:THR83 2.6 41.7 1.0
OD1 D:BFD53 2.7 38.2 1.0
F2 D:BFD53 2.8 41.1 1.0
F1 D:BFD53 2.9 38.9 1.0
N D:MET55 2.9 39.3 1.0
N D:ILE54 3.4 41.5 1.0
CB D:ILE54 3.5 41.0 1.0
CB D:THR83 3.6 38.8 1.0
CA D:ILE54 3.7 40.8 1.0
CG D:BFD53 3.7 39.6 1.0
CB D:MET55 3.7 47.3 1.0
C D:ILE54 3.7 42.8 1.0
N D:ALA84 3.8 35.1 1.0
CG D:MET55 3.8 55.3 1.0
CA D:MET55 3.9 42.1 1.0
CA D:THR83 3.9 34.8 1.0
SD D:MET55 4.2 65.6 1.0
OD2 D:BFD53 4.3 41.1 1.0
CG1 D:ILE54 4.3 40.7 1.0
CG D:LYS85 4.4 58.2 1.0
C D:THR83 4.4 34.7 1.0
O B:HOH671 4.4 48.5 1.0
N D:LYS85 4.5 45.0 1.0
C D:BFD53 4.5 41.2 1.0
O D:MET55 4.5 36.5 1.0
MG D:MG201 4.5 41.3 1.0
CG2 D:ILE54 4.5 44.3 1.0
CB D:ALA84 4.6 38.4 1.0
C D:MET55 4.7 41.5 1.0
CA D:ALA84 4.7 39.0 1.0
CA D:BFD53 4.8 39.6 1.0
CB D:BFD53 4.8 36.8 1.0
O D:ILE54 4.9 43.3 1.0
CG2 D:THR83 5.0 37.4 1.0
O D:LEU82 5.0 39.5 1.0

Reference:

C.Mideros-Mora, L.Miguel-Romero, A.Felipe-Ruiz, P.Casino, A.Marina. Revisiting the pH-Gated Conformational Switch on the Activities of Hiska-Family Histidine Kinases. Nat Commun V. 11 769 2020.
ISSN: ESSN 2041-1723
PubMed: 32034139
DOI: 10.1038/S41467-020-14540-5
Page generated: Fri Aug 2 01:11:13 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy