Fluorine in PDB 4lzz: Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis

The structure of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis, PDB code: 4lzz was solved by T.A.Sysoeva, S.Chowdhury, L.Guo, B.T.Nixon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.27 / 3.21
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	119.970, 130.830, 208.230, 90.01, 90.01, 89.85
R / Rfree (%)	26.7 / 32.2

The structure of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis also contains other interesting chemical elements:

Magnesium

(Mg)

23 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 66;

Binding sites:

The binding sites of Fluorine atom in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis (pdb code 4lzz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 66 binding sites of Fluorine where determined in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis, PDB code: 4lzz:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:92.4 occ:0.78 F1 A:08T400 0.0 92.4 0.8 OG A:SER169 1.1 94.8 1.0 BE A:08T400 1.4 89.3 0.8 F2 A:08T400 2.2 86.0 0.8 F3 A:08T400 2.3 90.7 0.8 O3B A:08T400 2.3 91.7 0.8 CB A:SER169 2.4 92.8 1.0 HH12 B:ARG299 2.5 0.2 1.0 HB3 A:SER169 2.6 0.4 1.0 HB2 A:SER169 3.0 0.4 1.0 HB2 B:ASP295 3.0 0.1 1.0 HH22 B:ARG299 3.1 91.2 1.0 NH1 B:ARG299 3.3 83.5 1.0 CA A:SER169 3.3 94.6 1.0 HA A:SER169 3.3 0.5 1.0 H A:GLY170 3.4 0.1 1.0 HB3 B:ASP295 3.5 0.1 1.0 C A:SER169 3.6 98.2 1.0 N A:GLY170 3.6 98.5 1.0 CB B:ASP295 3.7 84.3 1.0 MG A:MG401 3.7 54.5 1.0 NH2 B:ARG299 3.8 76.0 1.0 PB A:08T400 3.8 98.5 0.8 HH11 A:ARG357 3.8 0.4 1.0 NH1 A:ARG357 3.8 89.5 1.0 HH11 B:ARG299 3.8 0.2 1.0 HD2 A:ARG357 3.9 0.2 1.0 CZ B:ARG299 4.0 78.2 1.0 HH12 A:ARG357 4.0 0.4 1.0 CZ A:ARG357 4.1 98.8 1.0 O3A A:08T400 4.3 84.5 0.8 O A:SER169 4.3 99.5 1.0 HB3 A:ASN280 4.4 0.6 1.0 OE2 A:GLU239 4.4 0.7 1.0 HA B:ASP295 4.4 91.6 1.0 NE A:ARG357 4.4 0.7 1.0 HA2 A:GLY170 4.5 0.2 1.0 HZ1 A:LYS173 4.5 0.8 1.0 HH21 B:ARG299 4.5 91.2 1.0 CA A:GLY170 4.5 95.2 1.0 CD A:ARG357 4.5 92.6 1.0 O1B A:08T400 4.6 93.2 0.8 O2B A:08T400 4.6 97.5 0.8 N A:SER169 4.6 93.5 1.0 CA B:ASP295 4.7 76.3 1.0 HA3 A:GLY170 4.7 0.2 1.0 NH2 A:ARG357 4.7 0.0 1.0 HD3 A:ARG357 4.7 0.2 1.0 CG B:ASP295 4.7 94.0 1.0 OD2 B:ASP295 4.8 1.0 1.0 HH22 A:ARG357 4.8 0.4 1.0 H A:SER169 4.8 0.2 1.0 HE A:ARG357 4.9 0.6 1.0 O B:ASP295 4.9 77.6 1.0

Fluorine binding site 2 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:86.0 occ:0.78 F2 A:08T400 0.0 86.0 0.8 BE A:08T400 1.4 89.3 0.8 MG A:MG401 1.8 54.5 1.0 O3B A:08T400 2.2 91.7 0.8 F3 A:08T400 2.2 90.7 0.8 F1 A:08T400 2.2 92.4 0.8 HH22 B:ARG299 2.3 91.2 1.0 OG A:SER169 2.6 94.8 1.0 NH2 B:ARG299 3.1 76.0 1.0 HH12 B:ARG299 3.2 0.2 1.0 OE2 A:GLU239 3.3 0.7 1.0 PB A:08T400 3.5 98.5 0.8 OD2 A:ASP238 3.5 0.8 1.0 O2B A:08T400 3.6 97.5 0.8 HH21 B:ARG299 3.6 91.2 1.0 NH1 B:ARG299 3.8 83.5 1.0 CZ B:ARG299 3.9 78.2 1.0 CB A:SER169 4.0 92.8 1.0 HB2 A:SER169 4.2 0.4 1.0 HB2 B:ASP295 4.2 0.1 1.0 HG2 A:GLU239 4.3 0.6 1.0 HA A:SER169 4.3 0.5 1.0 CD A:GLU239 4.4 0.0 1.0 HD13 B:LEU252 4.4 95.4 1.0 CG A:ASP238 4.4 0.1 1.0 HH12 A:ARG357 4.4 0.4 1.0 O3A A:08T400 4.4 84.5 0.8 O1B A:08T400 4.6 93.2 0.8 OD1 A:ASP238 4.6 97.4 1.0 HB3 A:ASN280 4.6 0.6 1.0 HZ1 A:LYS173 4.6 0.8 1.0 H A:GLY170 4.6 0.1 1.0 HB3 A:SER169 4.6 0.4 1.0 HH11 B:ARG299 4.6 0.2 1.0 NH1 A:ARG357 4.7 89.5 1.0 HG3 A:GLU239 4.7 0.6 1.0 CG A:GLU239 4.7 90.5 1.0 CA A:SER169 4.7 94.6 1.0 HH22 A:ARG357 4.8 0.4 1.0 HB3 B:ASP295 4.9 0.1 1.0 HH11 A:ARG357 4.9 0.4 1.0 HD22 B:LEU252 5.0 97.2 1.0 CZ A:ARG357 5.0 98.8 1.0 CB B:ASP295 5.0 84.3 1.0

Fluorine binding site 3 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:90.7 occ:0.78 F3 A:08T400 0.0 90.7 0.8 BE A:08T400 1.4 89.3 0.8 OG A:SER169 1.6 94.8 1.0 F2 A:08T400 2.2 86.0 0.8 F1 A:08T400 2.3 92.4 0.8 O3B A:08T400 2.3 91.7 0.8 CB A:SER169 2.4 92.8 1.0 HB2 A:SER169 2.4 0.4 1.0 HA A:SER169 2.5 0.5 1.0 HB3 A:ASN280 2.6 0.6 1.0 HZ1 A:LYS173 2.8 0.8 1.0 CA A:SER169 2.9 94.6 1.0 OE2 A:GLU239 3.1 0.7 1.0 MG A:MG401 3.1 54.5 1.0 HB3 A:SER169 3.2 0.4 1.0 CB A:ASN280 3.5 95.5 1.0 PB A:08T400 3.6 98.5 0.8 NZ A:LYS173 3.7 95.7 1.0 H A:GLY170 3.7 0.1 1.0 HB2 A:ASN280 3.7 0.6 1.0 O1B A:08T400 4.0 93.2 0.8 HZ3 A:LYS173 4.0 0.8 1.0 N A:SER169 4.0 93.5 1.0 C A:SER169 4.0 98.2 1.0 N A:GLY170 4.1 98.5 1.0 CG A:ASN280 4.2 0.2 1.0 HZ2 A:LYS173 4.2 0.8 1.0 O2B A:08T400 4.2 97.5 0.8 CD A:GLU239 4.2 0.0 1.0 OD1 A:ASN280 4.2 0.1 1.0 HB3 B:ASP295 4.2 0.1 1.0 HE2 A:LYS173 4.2 0.7 1.0 H A:SER169 4.3 0.2 1.0 HH22 B:ARG299 4.3 91.2 1.0 HH12 B:ARG299 4.3 0.2 1.0 HB2 B:ASP295 4.3 0.1 1.0 CE A:LYS173 4.4 90.5 1.0 HE3 A:LYS173 4.4 0.7 1.0 CA A:ASN280 4.5 97.1 1.0 H A:ASN280 4.5 0.8 1.0 HA A:ASN280 4.5 0.5 1.0 N A:ASN280 4.6 95.6 1.0 CB B:ASP295 4.7 84.3 1.0 C A:GLU168 4.8 95.3 1.0 O A:GLU168 4.8 98.0 1.0 OE1 A:GLU239 4.8 0.1 1.0 OD2 B:ASP295 4.9 1.0 1.0 O3A A:08T400 4.9 84.5 0.8 OD2 A:ASP238 4.9 0.8 1.0 HG2 A:GLU239 4.9 0.6 1.0 OD1 A:ASP238 5.0 97.4 1.0

Fluorine binding site 4 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ B:F400 b:87.7 occ:0.80 F1 B:08T400 0.0 87.7 0.8 BE B:08T400 1.4 79.3 0.8 OE2 B:GLU239 1.4 90.0 1.0 OG B:SER169 1.9 77.7 1.0 F3 B:08T400 2.2 89.6 0.8 F2 B:08T400 2.2 79.9 0.8 O3B B:08T400 2.2 61.1 0.8 HB3 B:ASN280 2.3 0.3 1.0 HB2 B:SER169 2.4 97.6 1.0 CD B:GLU239 2.4 85.2 1.0 HZ1 B:LYS173 2.5 85.4 1.0 CB B:SER169 2.6 81.3 1.0 OE1 B:GLU239 2.7 84.1 1.0 HD22 B:ASN280 2.8 0.9 1.0 HA B:SER169 3.1 96.5 1.0 CB B:ASN280 3.2 89.4 1.0 ND2 B:ASN280 3.3 89.1 1.0 NZ B:LYS173 3.3 71.2 1.0 CA B:SER169 3.4 80.5 1.0 HB3 B:SER169 3.4 97.6 1.0 HZ2 B:LYS173 3.6 85.4 1.0 CG B:ASN280 3.6 83.7 1.0 HB2 B:ASN280 3.6 0.3 1.0 PB B:08T400 3.7 58.2 0.8 CG B:GLU239 3.8 81.1 1.0 HZ3 B:LYS173 3.8 85.4 1.0 HH22 C:ARG299 3.9 78.7 1.0 O1B B:08T400 3.9 70.8 0.8 HD21 B:ASN280 3.9 0.9 1.0 OD2 C:ASP295 4.0 74.1 1.0 HE3 B:LYS173 4.0 82.9 1.0 HG3 B:GLU239 4.0 97.3 1.0 H B:ASN280 4.0 84.3 1.0 HG2 B:GLU239 4.1 97.3 1.0 CE B:LYS173 4.1 69.0 1.0 HH12 C:ARG299 4.2 84.9 1.0 HE2 B:LYS173 4.2 82.9 1.0 N B:ASN280 4.2 70.2 1.0 CA B:ASN280 4.2 81.4 1.0 HB2 C:ASP295 4.3 85.0 1.0 N B:SER169 4.3 88.9 1.0 HH12 B:ARG357 4.3 95.3 1.0 HB3 C:ASP295 4.3 85.0 1.0 O2B B:08T400 4.4 61.0 0.8 H B:GLY170 4.4 88.5 1.0 HA B:ASN280 4.4 97.7 1.0 H B:SER169 4.4 0.7 1.0 MG B:MG401 4.5 62.3 0.5 HD23 C:LEU252 4.5 71.2 1.0 C B:SER169 4.5 73.0 1.0 HH22 B:ARG357 4.5 99.9 1.0 CB C:ASP295 4.6 70.8 1.0 OD1 B:ASN280 4.7 82.1 1.0 NH2 C:ARG299 4.7 65.5 1.0 CG C:ASP295 4.7 75.0 1.0 N B:GLY170 4.8 73.8 1.0 O3A B:08T400 4.9 73.4 0.8 HB3 B:GLU239 5.0 77.4 1.0 NH1 C:ARG299 5.0 70.8 1.0 CB B:GLU239 5.0 64.5 1.0 HD21 C:LEU252 5.0 71.2 1.0 C B:THR279 5.0 68.3 1.0

Fluorine binding site 5 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ B:F400 b:79.9 occ:0.80 F2 B:08T400 0.0 79.9 0.8 OG B:SER169 1.0 77.7 1.0 BE B:08T400 1.4 79.3 0.8 HH12 C:ARG299 2.1 84.9 1.0 F3 B:08T400 2.2 89.6 0.8 O3B B:08T400 2.2 61.1 0.8 F1 B:08T400 2.2 87.7 0.8 CB B:SER169 2.3 81.3 1.0 HH22 C:ARG299 2.4 78.7 1.0 HB3 B:SER169 2.5 97.6 1.0 HH12 B:ARG357 2.5 95.3 1.0 HB2 C:ASP295 2.6 85.0 1.0 HB2 B:SER169 2.7 97.6 1.0 OE2 B:GLU239 2.8 90.0 1.0 NH1 C:ARG299 2.9 70.8 1.0 NH2 C:ARG299 3.1 65.5 1.0 HH22 B:ARG357 3.2 99.9 1.0 NH1 B:ARG357 3.2 79.4 1.0 CB C:ASP295 3.3 70.8 1.0 HB3 C:ASP295 3.3 85.0 1.0 CZ C:ARG299 3.4 64.1 1.0 CA B:SER169 3.4 80.5 1.0 HA B:SER169 3.5 96.5 1.0 HH11 C:ARG299 3.5 84.9 1.0 PB B:08T400 3.7 58.2 0.8 OD2 C:ASP295 3.7 74.1 1.0 HH11 B:ARG357 3.7 95.3 1.0 NH2 B:ARG357 3.8 83.2 1.0 CG C:ASP295 3.8 75.0 1.0 HH21 C:ARG299 3.9 78.7 1.0 CZ B:ARG357 3.9 74.7 1.0 C B:SER169 3.9 73.0 1.0 CD B:GLU239 3.9 85.2 1.0 H B:GLY170 3.9 88.5 1.0 HZ1 B:LYS173 4.0 85.4 1.0 HD23 C:LEU252 4.0 71.2 1.0 HB3 B:ASN280 4.1 0.3 1.0 N B:GLY170 4.1 73.8 1.0 O3A B:08T400 4.3 73.4 0.8 HD22 B:ASN280 4.4 0.9 1.0 HD21 C:LEU252 4.4 71.2 1.0 O2B B:08T400 4.5 61.0 0.8 HH21 B:ARG357 4.5 99.9 1.0 O1B B:08T400 4.6 70.8 0.8 CA C:ASP295 4.6 58.3 1.0 OE1 B:GLU239 4.6 84.1 1.0 O B:SER169 4.6 74.0 1.0 CD2 C:LEU252 4.6 59.3 1.0 ND2 B:ASN280 4.7 89.1 1.0 N B:SER169 4.7 88.9 1.0 HA C:ASP295 4.7 70.0 1.0 NE C:ARG299 4.7 61.8 1.0 NZ B:LYS173 4.7 71.2 1.0 HG3 B:GLU239 4.8 97.3 1.0 H B:SER169 4.8 0.7 1.0 CB B:ASN280 4.8 89.4 1.0 OD1 C:ASP295 4.9 68.4 1.0 HB2 B:ASN280 4.9 0.3 1.0 HZ3 B:LYS173 4.9 85.4 1.0 CG B:ASN280 4.9 83.7 1.0 O C:ASP295 4.9 64.0 1.0 HZ2 B:LYS173 5.0 85.4 1.0 CG B:GLU239 5.0 81.1 1.0

Fluorine binding site 6 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ B:F400 b:89.6 occ:0.80 F3 B:08T400 0.0 89.6 0.8 BE B:08T400 1.4 79.3 0.8 OE2 B:GLU239 1.4 90.0 1.0 F2 B:08T400 2.2 79.9 0.8 F1 B:08T400 2.2 87.7 0.8 O3B B:08T400 2.2 61.1 0.8 HH22 C:ARG299 2.3 78.7 1.0 CD B:GLU239 2.4 85.2 1.0 HG3 B:GLU239 2.7 97.3 1.0 HD23 C:LEU252 2.7 71.2 1.0 OG B:SER169 2.8 77.7 1.0 NH2 C:ARG299 2.9 65.5 1.0 CG B:GLU239 3.0 81.1 1.0 HG2 B:GLU239 3.1 97.3 1.0 HH12 C:ARG299 3.3 84.9 1.0 HH21 C:ARG299 3.3 78.7 1.0 OE1 B:GLU239 3.5 84.1 1.0 MG B:MG401 3.5 62.3 0.5 PB B:08T400 3.5 58.2 0.8 O2B B:08T400 3.6 61.0 0.8 CD2 C:LEU252 3.6 59.3 1.0 CZ C:ARG299 3.7 64.1 1.0 HD21 C:LEU252 3.8 71.2 1.0 NH1 C:ARG299 3.8 70.8 1.0 HH22 B:ARG357 4.0 99.9 1.0 HZ1 B:LYS173 4.0 85.4 1.0 CB B:SER169 4.1 81.3 1.0 HD22 C:LEU252 4.1 71.2 1.0 HD22 B:ASN280 4.1 0.9 1.0 HB2 B:SER169 4.1 97.6 1.0 HB2 C:ASP295 4.3 85.0 1.0 OD2 C:ASP295 4.3 74.1 1.0 HH12 B:ARG357 4.4 95.3 1.0 O1B B:08T400 4.4 70.8 0.8 HB3 B:ASN280 4.5 0.3 1.0 CB B:GLU239 4.5 64.5 1.0 HB3 C:LEU252 4.5 71.0 1.0 HB3 B:SER169 4.6 97.6 1.0 HH11 C:ARG299 4.6 84.9 1.0 HG C:LEU252 4.6 73.3 1.0 NH2 B:ARG357 4.6 83.2 1.0 HB3 B:GLU239 4.6 77.4 1.0 ND2 B:ASN280 4.7 89.1 1.0 CG C:LEU252 4.7 61.1 1.0 O3A B:08T400 4.7 73.4 0.8 OD2 B:ASP238 4.7 64.5 1.0 OD1 B:ASP238 4.7 62.1 1.0 HA B:SER169 4.8 96.5 1.0 CG C:ASP295 4.9 75.0 1.0 NE C:ARG299 4.9 61.8 1.0 NZ B:LYS173 4.9 71.2 1.0 HB2 B:GLU239 4.9 77.4 1.0 CB C:ASP295 5.0 70.8 1.0 HD21 B:ASN280 5.0 0.9 1.0

Fluorine binding site 7 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ C:F400 b:60.4 occ:0.89 F1 C:08T400 0.0 60.4 0.9 BE C:08T400 1.4 59.8 0.9 HG C:SER169 1.5 71.8 1.0 HH22 D:ARG299 1.8 76.3 1.0 OG C:SER169 2.1 59.8 1.0 F2 C:08T400 2.2 74.8 0.9 HH12 D:ARG299 2.2 81.6 1.0 F3 C:08T400 2.2 60.0 0.9 O3B C:08T400 2.2 45.8 0.9 HH22 C:ARG357 2.5 85.2 1.0 NH2 D:ARG299 2.6 63.6 1.0 HH12 C:ARG357 2.6 76.3 1.0 NH1 D:ARG299 2.9 68.0 1.0 NH2 C:ARG357 3.1 71.0 1.0 CZ D:ARG299 3.1 64.0 1.0 NH1 C:ARG357 3.2 63.6 1.0 HH21 D:ARG299 3.2 76.3 1.0 HA C:SER169 3.4 75.9 1.0 CB C:SER169 3.4 66.1 1.0 HZ1 C:LYS173 3.4 73.9 1.0 HB3 D:ASP295 3.4 74.3 1.0 CZ C:ARG357 3.5 64.7 1.0 HB2 C:SER169 3.6 79.3 1.0 HH11 D:ARG299 3.7 81.6 1.0 H C:GLY170 3.7 78.7 1.0 HH21 C:ARG357 3.7 85.2 1.0 MG C:MG401 3.7 51.9 0.8 PB C:08T400 3.7 72.1 0.9 CA C:SER169 3.8 63.3 1.0 HH11 C:ARG357 3.9 76.3 1.0 HB3 C:SER169 4.1 79.3 1.0 N C:GLY170 4.2 65.6 1.0 OE2 C:GLU239 4.2 57.7 1.0 NZ C:LYS173 4.2 61.6 1.0 HD21 D:LEU252 4.2 66.5 1.0 CB D:ASP295 4.3 61.9 1.0 O3A C:08T400 4.4 63.1 0.9 HZ3 C:LYS173 4.4 73.9 1.0 C C:SER169 4.4 66.7 1.0 NE D:ARG299 4.5 58.7 1.0 O1B C:08T400 4.5 68.4 0.9 HB3 C:ASN280 4.5 83.8 1.0 HZ2 C:LYS173 4.6 73.9 1.0 O2B C:08T400 4.6 75.5 0.9 CG D:ASP295 4.7 74.7 1.0 NE C:ARG357 4.7 61.4 1.0 HA D:ASP295 4.8 64.2 1.0 HE D:ARG299 4.8 70.4 1.0 HB2 D:ASP295 4.9 74.3 1.0 OD2 D:ASP295 5.0 74.2 1.0

Fluorine binding site 8 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ C:F400 b:74.8 occ:0.89 F2 C:08T400 0.0 74.8 0.9 BE C:08T400 1.3 59.8 0.9 MG C:MG401 1.7 51.9 0.8 HH22 D:ARG299 2.2 76.3 1.0 O3B C:08T400 2.2 45.8 0.9 F1 C:08T400 2.2 60.4 0.9 F3 C:08T400 2.2 60.0 0.9 NH2 D:ARG299 2.9 63.6 1.0 HH21 D:ARG299 3.0 76.3 1.0 OE2 C:GLU239 3.2 57.7 1.0 HZ1 C:LYS173 3.4 73.9 1.0 HH22 C:ARG357 3.5 85.2 1.0 HG C:SER169 3.5 71.8 1.0 PB C:08T400 3.5 72.1 0.9 O2B C:08T400 3.6 75.5 0.9 OD2 C:ASP238 3.7 48.1 1.0 HH12 D:ARG299 3.9 81.6 1.0 CZ D:ARG299 4.0 64.0 1.0 NH2 C:ARG357 4.1 71.0 1.0 HE2 C:LYS173 4.2 72.9 1.0 CD C:GLU239 4.2 58.1 1.0 NZ C:LYS173 4.2 61.6 1.0 HD21 D:LEU252 4.3 66.5 1.0 OG C:SER169 4.3 59.8 1.0 HG2 C:GLU239 4.3 63.0 1.0 NH1 D:ARG299 4.3 68.0 1.0 HZ3 C:LYS173 4.4 73.9 1.0 OD1 C:ASP238 4.4 49.3 1.0 HH21 C:ARG357 4.4 85.2 1.0 CG C:ASP238 4.4 50.6 1.0 HD23 D:LEU252 4.5 66.5 1.0 O3A C:08T400 4.5 63.1 0.9 O1B C:08T400 4.6 68.4 0.9 CE C:LYS173 4.6 60.8 1.0 HH12 C:ARG357 4.6 76.3 1.0 HB3 C:ASN280 4.6 83.8 1.0 HE3 C:LYS173 4.7 72.9 1.0 HA C:SER169 4.7 75.9 1.0 CG C:GLU239 4.8 52.5 1.0 CD2 D:LEU252 4.9 55.4 1.0 HZ2 C:LYS173 4.9 73.9 1.0 HB3 D:ASP295 5.0 74.3 1.0 H C:GLY170 5.0 78.7 1.0

Fluorine binding site 9 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ C:F400 b:60.0 occ:0.89 F3 C:08T400 0.0 60.0 0.9 BE C:08T400 1.4 59.8 0.9 HZ1 C:LYS173 1.6 73.9 1.0 F1 C:08T400 2.2 60.4 0.9 F2 C:08T400 2.2 74.8 0.9 O3B C:08T400 2.2 45.8 0.9 NZ C:LYS173 2.5 61.6 1.0 HG C:SER169 2.5 71.8 1.0 HB3 C:ASN280 2.9 83.8 1.0 HZ2 C:LYS173 2.9 73.9 1.0 HA C:SER169 2.9 75.9 1.0 HZ3 C:LYS173 3.0 73.9 1.0 HE3 C:LYS173 3.1 72.9 1.0 CE C:LYS173 3.2 60.8 1.0 HE2 C:LYS173 3.2 72.9 1.0 MG C:MG401 3.2 51.9 0.8 OG C:SER169 3.3 59.8 1.0 HH22 D:ARG299 3.5 76.3 1.0 PB C:08T400 3.6 72.1 0.9 CA C:SER169 3.8 63.3 1.0 HB2 C:SER169 3.8 79.3 1.0 CB C:ASN280 3.8 69.8 1.0 OE2 C:GLU239 3.8 57.7 1.0 HH22 C:ARG357 3.8 85.2 1.0 O1B C:08T400 3.8 68.4 0.9 CB C:SER169 3.8 66.1 1.0 H C:GLY170 4.0 78.7 1.0 HB2 C:ASN280 4.0 83.8 1.0 O2B C:08T400 4.1 75.5 0.9 HH12 C:ARG357 4.1 76.3 1.0 HD22 C:ASN280 4.2 0.6 1.0 HH12 D:ARG299 4.3 81.6 1.0 NH2 D:ARG299 4.4 63.6 1.0 HA C:ASN280 4.5 90.5 1.0 N C:SER169 4.6 66.4 1.0 N C:GLY170 4.6 65.6 1.0 CA C:ASN280 4.6 75.4 1.0 CD C:LYS173 4.6 55.4 1.0 NH2 C:ARG357 4.7 71.0 1.0 CD C:GLU239 4.7 58.1 1.0 HB3 D:ASP295 4.7 74.3 1.0 HB2 C:LYS173 4.7 66.1 1.0 CG C:ASN280 4.7 85.7 1.0 ND2 C:ASN280 4.7 86.3 1.0 C C:SER169 4.8 66.7 1.0 N C:ASN280 4.8 71.3 1.0 HB3 C:SER169 4.8 79.3 1.0 H C:ASN280 4.8 85.6 1.0 O C:GLU168 4.8 64.9 1.0 HH21 D:ARG299 4.9 76.3 1.0 O3A C:08T400 4.9 63.1 0.9 HD3 C:LYS173 4.9 66.5 1.0 NH1 C:ARG357 4.9 63.6 1.0

Fluorine binding site 10 out of 66 in the Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives S54- Rnap Interaction and Atp Hydrolysis within 5.0Å range: probe atom residue distance (Å) B Occ D:F400 b:85.3 occ:0.97 F1 D:08T400 0.0 85.3 1.0 NH1 D:ARG357 1.2 74.8 1.0 BE D:08T400 1.4 74.1 1.0 OG D:SER169 1.6 81.0 1.0 F2 D:08T400 2.2 82.5 1.0 F3 D:08T400 2.3 70.1 1.0 O3B D:08T400 2.3 64.8 1.0 CB D:SER169 2.5 75.8 1.0 CZ D:ARG357 2.5 62.5 1.0 HB3 D:SER169 2.5 91.0 1.0 N D:GLY170 2.7 61.9 1.0 H D:GLY170 2.8 74.3 1.0 C D:SER169 2.8 61.7 1.0 CA D:SER169 3.0 69.2 1.0 HD2 D:ARG357 3.1 59.3 1.0 HA D:SER169 3.2 83.0 1.0 HH22 D:ARG357 3.2 79.6 1.0 HH12 E:ARG299 3.3 63.0 1.0 HB2 D:SER169 3.3 91.0 1.0 NH2 D:ARG357 3.3 66.3 1.0 O D:SER169 3.4 58.9 1.0 NE D:ARG357 3.5 49.4 1.0 HA2 D:GLY170 3.5 75.4 1.0 CA D:GLY170 3.5 62.9 1.0 HA3 D:GLY170 3.5 75.4 1.0 HB2 E:ASP295 3.6 71.5 1.0 PB D:08T400 3.8 55.4 1.0 CD D:ARG357 3.8 49.4 1.0 NH1 E:ARG299 4.0 52.5 1.0 HB3 E:ASP295 4.0 71.5 1.0 HH22 E:ARG299 4.0 71.4 1.0 HH21 D:ARG357 4.1 79.6 1.0 CB E:ASP295 4.2 59.6 1.0 O3A D:08T400 4.3 54.1 1.0 HA E:ASP295 4.3 69.1 1.0 HE D:ARG357 4.3 59.3 1.0 HD3 D:ARG357 4.3 59.3 1.0 HB2 D:ARG357 4.4 72.5 1.0 N D:SER169 4.4 69.5 1.0 HH11 E:ARG299 4.4 63.0 1.0 O1B D:08T400 4.5 67.3 1.0 HB3 D:ARG357 4.5 72.5 1.0 NH2 E:ARG299 4.6 59.5 1.0 HZ1 D:LYS173 4.6 68.5 1.0 H D:SER169 4.7 83.4 1.0 CZ E:ARG299 4.7 55.9 1.0 O2B D:08T400 4.7 55.1 1.0 CA E:ASP295 4.8 57.5 1.0 CB D:ARG357 4.8 60.4 1.0 O E:ASP295 4.9 47.1 1.0 CG D:ARG357 4.9 55.8 1.0 C D:GLY170 5.0 58.2 1.0 H2 D:08T400 5.0 68.0 1.0

T.A.Sysoeva, S.Chowdhury, L.Guo, B.T.Nixon. Nucleotide-Induced Asymmetry Within Atpase Activator Ring Drives Sigma 54-Rnap Interaction and Atp Hydrolysis. Genes Dev. V. 27 2500 2013.
ISSN: ISSN 0890-9369
PubMed: 24240239
DOI: 10.1101/GAD.229385.113