Fluorine in PDB 6duq: Structure of A Rho-Nusg Kow Domain Complex

The structure of Structure of A Rho-Nusg Kow Domain Complex, PDB code: 6duq was solved by J.M.Berger, M.R.Lawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.03 / 3.70
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	126.350, 126.320, 166.820, 89.94, 89.90, 60.01
R / Rfree (%)	28.7 / 30

The structure of Structure of A Rho-Nusg Kow Domain Complex also contains other interesting chemical elements:

Magnesium

(Mg)

12 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Fluorine atom in the Structure of A Rho-Nusg Kow Domain Complex (pdb code 6duq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 36 binding sites of Fluorine where determined in the Structure of A Rho-Nusg Kow Domain Complex, PDB code: 6duq:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ L:F1002 b:0.0 occ:1.00 F1 L:BEF1002 0.0 0.0 1.0 BE L:BEF1002 1.5 0.0 1.0 F3 L:BEF1002 2.5 0.8 1.0 F2 L:BEF1002 2.6 0.0 1.0 O2B L:ADP1000 2.6 0.0 1.0 NH1 K:ARG366 2.8 0.4 1.0 NH2 L:ARG212 3.0 0.6 1.0 NH2 K:ARG366 3.3 0.6 1.0 NH1 L:ARG212 3.4 0.8 1.0 CZ K:ARG366 3.4 0.6 1.0 CZ L:ARG212 3.6 0.5 1.0 N L:LYS181 3.7 0.3 1.0 CB L:PRO180 3.7 0.9 1.0 CA L:PRO180 3.8 0.2 1.0 PB L:ADP1000 4.0 0.0 1.0 CA K:GLY337 4.0 0.6 1.0 C L:PRO180 4.2 0.6 1.0 MG L:MG1001 4.3 0.0 1.0 CA L:LYS181 4.6 0.7 1.0 O K:GLY337 4.6 0.5 1.0 O K:LYS336 4.6 1.0 1.0 O3B L:ADP1000 4.7 0.0 1.0 O1B L:ADP1000 4.7 0.4 1.0 NE K:ARG366 4.7 0.6 1.0 C K:GLY337 4.7 0.0 1.0 CG L:PRO180 4.8 1.0 1.0 N K:GLY337 4.9 0.1 1.0 NE L:ARG212 4.9 1.0 1.0

Fluorine binding site 2 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ L:F1002 b:0.0 occ:1.00 F2 L:BEF1002 0.0 0.0 1.0 BE L:BEF1002 1.6 0.0 1.0 F3 L:BEF1002 2.5 0.8 1.0 F1 L:BEF1002 2.6 0.0 1.0 NZ L:LYS184 2.7 0.2 1.0 O2B L:ADP1000 2.9 0.0 1.0 CE L:LYS184 3.4 0.2 1.0 O3B L:ADP1000 3.4 0.0 1.0 PB L:ADP1000 3.4 0.0 1.0 CD2 L:LEU320 3.5 0.9 1.0 CA L:PRO180 3.5 0.2 1.0 MG L:MG1001 3.8 0.0 1.0 O1B L:ADP1000 3.9 0.4 1.0 N L:LYS181 4.1 0.3 1.0 CB L:PRO180 4.1 0.9 1.0 N L:PRO180 4.3 0.5 1.0 C L:PRO180 4.4 0.6 1.0 O L:PRO179 4.5 0.9 1.0 CG L:LEU320 4.5 0.1 1.0 CG L:PRO180 4.7 1.0 1.0 C L:PRO179 4.8 0.8 1.0 CD L:LYS184 4.9 0.2 1.0 O3A L:ADP1000 5.0 0.6 1.0 CD1 L:LEU320 5.0 0.9 1.0

Fluorine binding site 3 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ L:F1002 b:0.8 occ:1.00 F3 L:BEF1002 0.0 0.8 1.0 BE L:BEF1002 1.5 0.0 1.0 MG L:MG1001 1.8 0.0 1.0 O2B L:ADP1000 2.4 0.0 1.0 F2 L:BEF1002 2.5 0.0 1.0 F1 L:BEF1002 2.5 0.0 1.0 O1B L:ADP1000 2.9 0.4 1.0 NH1 L:ARG212 3.0 0.8 1.0 PB L:ADP1000 3.1 0.0 1.0 OG1 L:THR185 3.8 0.5 1.0 NH2 K:ARG366 3.9 0.6 1.0 OE2 L:GLU211 3.9 0.9 1.0 CZ L:ARG212 4.0 0.5 1.0 O3B L:ADP1000 4.0 0.0 1.0 NH2 L:ARG212 4.2 0.6 1.0 O1A L:ADP1000 4.2 0.6 1.0 O3A L:ADP1000 4.4 0.6 1.0 CD L:GLU211 4.6 0.3 1.0 OE2 L:GLU215 4.6 0.1 1.0 NZ L:LYS184 4.7 0.2 1.0 OE1 L:GLU211 4.7 0.5 1.0 NH1 K:ARG366 4.7 0.4 1.0 CZ K:ARG366 4.8 0.6 1.0 CB L:THR185 4.9 0.6 1.0 PA L:ADP1000 4.9 0.1 1.0 CE L:LYS184 5.0 0.2 1.0 N L:LYS181 5.0 0.3 1.0

Fluorine binding site 4 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:0.1 occ:1.00 F1 A:BEF1002 0.0 0.1 1.0 BE A:BEF1002 1.5 0.1 1.0 F3 A:BEF1002 2.5 0.3 1.0 F2 A:BEF1002 2.6 0.7 1.0 O2B A:ADP1000 2.6 0.2 1.0 NH1 F:ARG366 2.8 0.4 1.0 NH2 A:ARG212 3.0 0.8 1.0 NH2 F:ARG366 3.2 0.7 1.0 CZ F:ARG366 3.4 0.2 1.0 NH1 A:ARG212 3.4 0.2 1.0 CZ A:ARG212 3.6 0.6 1.0 N A:LYS181 3.7 0.5 1.0 CB A:PRO180 3.7 0.2 1.0 CA A:PRO180 3.8 0.3 1.0 PB A:ADP1000 4.0 0.3 1.0 CA F:GLY337 4.1 0.1 1.0 C A:PRO180 4.2 0.8 1.0 MG A:MG1001 4.3 0.3 1.0 CA A:LYS181 4.6 0.8 1.0 NE F:ARG366 4.6 0.4 1.0 O F:LYS336 4.7 0.6 1.0 O3B A:ADP1000 4.7 0.8 1.0 O1B A:ADP1000 4.7 0.0 1.0 O F:GLY337 4.7 0.8 1.0 CG A:PRO180 4.8 0.8 1.0 C F:GLY337 4.8 0.0 1.0 NE A:ARG212 4.9 0.7 1.0 N F:GLY337 5.0 0.8 1.0

Fluorine binding site 5 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:0.7 occ:1.00 F2 A:BEF1002 0.0 0.7 1.0 BE A:BEF1002 1.6 0.1 1.0 F3 A:BEF1002 2.5 0.3 1.0 F1 A:BEF1002 2.6 0.1 1.0 NZ A:LYS184 2.8 0.1 1.0 O2B A:ADP1000 2.9 0.2 1.0 CE A:LYS184 3.4 0.7 1.0 PB A:ADP1000 3.5 0.3 1.0 CD2 A:LEU320 3.5 0.5 1.0 O3B A:ADP1000 3.5 0.8 1.0 CA A:PRO180 3.6 0.3 1.0 MG A:MG1001 3.8 0.3 1.0 O1B A:ADP1000 3.9 0.0 1.0 N A:LYS181 4.1 0.5 1.0 CB A:PRO180 4.1 0.2 1.0 N A:PRO180 4.4 0.8 1.0 C A:PRO180 4.4 0.8 1.0 CG A:LEU320 4.5 0.1 1.0 O A:PRO179 4.6 0.2 1.0 CG A:PRO180 4.7 0.8 1.0 C A:PRO179 4.8 0.2 1.0 CD A:LYS184 4.9 0.2 1.0 CD1 A:LEU320 5.0 0.8 1.0 O3A A:ADP1000 5.0 0.3 1.0

Fluorine binding site 6 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:F1002 b:0.3 occ:1.00 F3 A:BEF1002 0.0 0.3 1.0 BE A:BEF1002 1.5 0.1 1.0 MG A:MG1001 1.9 0.3 1.0 O2B A:ADP1000 2.5 0.2 1.0 F2 A:BEF1002 2.5 0.7 1.0 F1 A:BEF1002 2.5 0.1 1.0 O1B A:ADP1000 3.0 0.0 1.0 NH1 A:ARG212 3.0 0.2 1.0 PB A:ADP1000 3.1 0.3 1.0 OG1 A:THR185 3.8 0.8 1.0 OE2 A:GLU211 3.9 1.0 1.0 NH2 F:ARG366 3.9 0.7 1.0 CZ A:ARG212 4.0 0.6 1.0 O3B A:ADP1000 4.1 0.8 1.0 NH2 A:ARG212 4.2 0.8 1.0 O1A A:ADP1000 4.3 0.6 1.0 O3A A:ADP1000 4.4 0.3 1.0 CD A:GLU211 4.6 0.7 1.0 OE2 A:GLU215 4.6 0.1 1.0 OE1 A:GLU211 4.7 0.1 1.0 NH1 F:ARG366 4.8 0.4 1.0 CZ F:ARG366 4.8 0.2 1.0 NZ A:LYS184 4.8 0.1 1.0 CB A:THR185 4.9 0.3 1.0 PA A:ADP1000 5.0 0.2 1.0

Fluorine binding site 7 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:F1002 b:0.7 occ:1.00 F1 G:BEF1002 0.0 0.7 1.0 BE G:BEF1002 1.5 0.8 1.0 F3 G:BEF1002 2.5 0.0 1.0 F2 G:BEF1002 2.6 0.2 1.0 O2B G:ADP1000 2.7 0.3 1.0 NH1 L:ARG366 2.7 0.6 1.0 NH2 G:ARG212 3.0 0.2 1.0 NH2 L:ARG366 3.2 0.4 1.0 CZ L:ARG366 3.4 0.9 1.0 NH1 G:ARG212 3.4 0.9 1.0 CZ G:ARG212 3.6 0.7 1.0 N G:LYS181 3.7 0.3 1.0 CB G:PRO180 3.7 0.3 1.0 CA G:PRO180 3.8 0.1 1.0 CA L:GLY337 4.0 0.5 1.0 PB G:ADP1000 4.1 0.2 1.0 C G:PRO180 4.2 0.5 1.0 MG G:MG1001 4.3 0.0 1.0 O L:LYS336 4.5 0.3 1.0 O L:GLY337 4.6 0.9 1.0 NE L:ARG366 4.6 0.0 1.0 CA G:LYS181 4.6 0.6 1.0 C L:GLY337 4.6 0.1 1.0 O3B G:ADP1000 4.7 0.7 1.0 O1B G:ADP1000 4.7 0.5 1.0 CG G:PRO180 4.8 0.8 1.0 N L:GLY337 4.8 0.2 1.0 NE G:ARG212 4.9 0.8 1.0

Fluorine binding site 8 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:F1002 b:0.2 occ:1.00 F2 G:BEF1002 0.0 0.2 1.0 BE G:BEF1002 1.6 0.8 1.0 F3 G:BEF1002 2.5 0.0 1.0 F1 G:BEF1002 2.6 0.7 1.0 NZ G:LYS184 2.8 0.3 1.0 O2B G:ADP1000 2.9 0.3 1.0 CE G:LYS184 3.4 0.7 1.0 PB G:ADP1000 3.5 0.2 1.0 CD2 G:LEU320 3.5 0.1 1.0 O3B G:ADP1000 3.5 0.7 1.0 CA G:PRO180 3.6 0.1 1.0 MG G:MG1001 3.8 0.0 1.0 O1B G:ADP1000 3.9 0.5 1.0 N G:LYS181 4.1 0.3 1.0 CB G:PRO180 4.1 0.3 1.0 N G:PRO180 4.4 0.3 1.0 C G:PRO180 4.4 0.5 1.0 CG G:LEU320 4.5 0.2 1.0 O G:PRO179 4.5 0.4 1.0 CG G:PRO180 4.7 0.8 1.0 C G:PRO179 4.8 0.3 1.0 CD G:LYS184 4.9 0.8 1.0 CD1 G:LEU320 5.0 0.5 1.0 O3A G:ADP1000 5.0 0.8 1.0

Fluorine binding site 9 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:F1002 b:0.0 occ:1.00 F3 G:BEF1002 0.0 0.0 1.0 BE G:BEF1002 1.5 0.8 1.0 MG G:MG1001 1.8 0.0 1.0 O2B G:ADP1000 2.5 0.3 1.0 F2 G:BEF1002 2.5 0.2 1.0 F1 G:BEF1002 2.5 0.7 1.0 NH1 G:ARG212 3.0 0.9 1.0 O1B G:ADP1000 3.0 0.5 1.0 PB G:ADP1000 3.2 0.2 1.0 NH2 L:ARG366 3.8 0.4 1.0 OG1 G:THR185 3.8 0.1 1.0 OE2 G:GLU211 3.9 0.5 1.0 CZ G:ARG212 4.0 0.7 1.0 O3B G:ADP1000 4.1 0.7 1.0 NH2 G:ARG212 4.2 0.2 1.0 O1A G:ADP1000 4.3 0.7 1.0 O3A G:ADP1000 4.5 0.8 1.0 CD G:GLU211 4.5 0.0 1.0 OE2 G:GLU215 4.6 0.2 1.0 NH1 L:ARG366 4.7 0.6 1.0 OE1 G:GLU211 4.7 0.1 1.0 CZ L:ARG366 4.7 0.9 1.0 NZ G:LYS184 4.8 0.3 1.0 CB G:THR185 4.9 0.4 1.0 CE G:LYS184 5.0 0.7 1.0

Fluorine binding site 10 out of 36 in the Structure of A Rho-Nusg Kow Domain Complex


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of A Rho-Nusg Kow Domain Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F1002 b:0.5 occ:1.00 F1 B:BEF1002 0.0 0.5 1.0 BE B:BEF1002 1.5 0.5 1.0 F3 B:BEF1002 2.5 0.5 1.0 F2 B:BEF1002 2.6 0.5 1.0 O2B B:ADP1000 2.6 0.5 1.0 NH1 A:ARG366 2.8 0.1 1.0 NH2 B:ARG212 2.9 0.1 1.0 NH2 A:ARG366 3.3 0.6 1.0 NH1 B:ARG212 3.4 0.6 1.0 CZ A:ARG366 3.4 0.9 1.0 CZ B:ARG212 3.6 0.0 1.0 N B:LYS181 3.7 0.9 1.0 CB B:PRO180 3.7 1.0 1.0 CA B:PRO180 3.8 0.2 1.0 CA A:GLY337 3.9 0.1 1.0 PB B:ADP1000 4.0 0.5 1.0 C B:PRO180 4.2 0.9 1.0 MG B:MG1001 4.3 0.5 1.0 O A:GLY337 4.5 0.7 1.0 O A:LYS336 4.5 0.3 1.0 C A:GLY337 4.5 0.8 1.0 CA B:LYS181 4.6 0.4 1.0 O3B B:ADP1000 4.7 0.5 1.0 O1B B:ADP1000 4.7 0.7 1.0 NE A:ARG366 4.7 0.8 1.0 N A:GLY337 4.8 0.5 1.0 CG B:PRO180 4.8 0.5 1.0 NE B:ARG212 4.9 0.3 1.0

M.R.Lawson, W.Ma, M.J.Bellecourt, I.Artsimovitch, A.Martin, R.Landick, K.Schulten, J.M.Berger. Mechanism For the Regulated Control of Bacterial Transcription Termination By A Universal Adaptor Protein. Mol. Cell V. 71 911 2018.
ISSN: ISSN 1097-4164
PubMed: 30122535
DOI: 10.1016/J.MOLCEL.2018.07.014