Fluorine in PDB 7pvk: X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.

The structure of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg., PDB code: 7pvk was solved by C.A.Schmitz, M.Madej, J.Potempa, M.Sola, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.90 / 2.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	94.63, 103.77, 132.21, 90, 98.5, 90
R / Rfree (%)	19.4 / 22.3

The structure of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Zinc	(Zn)	10 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. (pdb code 7pvk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg., PDB code: 7pvk:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:68.1 occ:1.00 F1 A:BEF602 0.0 68.1 1.0 BE A:BEF602 1.5 71.6 1.0 MG A:MG601 1.9 73.8 1.0 O A:HOH720 2.3 65.6 1.0 OD2 A:ASP58 2.5 115.9 1.0 F3 A:BEF602 2.5 75.1 1.0 HB3 A:ASN60 2.6 111.2 1.0 F2 A:BEF602 2.6 80.1 1.0 HZ2 A:LYS87 2.7 133.7 1.0 OD1 A:ASP58 2.7 116.8 1.0 O A:ASN60 2.9 96.2 1.0 CG A:ASP58 3.0 110.6 1.0 H A:ASN60 3.1 111.7 1.0 HE3 A:LYS87 3.3 132.5 1.0 NZ A:LYS87 3.4 111.3 1.0 CB A:ASN60 3.4 93.1 1.0 HD2 A:LYS87 3.6 130.9 1.0 HZ1 A:LYS87 3.6 133.7 1.0 N A:ASN60 3.7 93.4 1.0 C A:ASN60 3.7 95.1 1.0 CE A:LYS87 3.7 110.3 1.0 HZ2 A:LYS108 3.8 100.5 1.0 CA A:ASN60 3.8 93.5 1.0 HB2 A:ASN60 3.9 111.2 1.0 HD22 A:ASN60 3.9 153.2 1.0 OD1 A:ASP15 3.9 97.0 1.0 HG3 A:LYS87 4.1 131.8 1.0 HG1 A:THR86 4.1 95.2 1.0 CD A:LYS87 4.1 109.0 1.0 HZ3 A:LYS87 4.2 133.7 1.0 HZ3 A:LYS108 4.2 100.5 1.0 H A:LYS87 4.3 114.2 1.0 NZ A:LYS108 4.4 83.7 1.0 CB A:ASP58 4.5 99.2 1.0 ND2 A:ASN60 4.5 127.6 1.0 CG A:ASN60 4.5 112.0 1.0 HA A:THR86 4.6 92.8 1.0 HE2 A:LYS87 4.6 132.5 1.0 CG A:LYS87 4.7 109.8 1.0 HZ1 A:LYS108 4.7 100.5 1.0 OD2 A:ASP15 4.7 101.3 1.0 CG A:ASP15 4.7 102.8 1.0 H A:GLU59 4.8 109.8 1.0 HA A:ASN60 4.8 111.7 1.0 HB3 A:ASP58 4.8 119.2 1.0 OD2 A:ASP14 4.8 91.5 1.0 HG3 A:MSE61 4.8 143.7 1.0 C A:GLU59 4.8 98.2 1.0 OD1 A:ASP14 4.9 98.4 1.0 HB2 A:ASP58 4.9 119.2 1.0 N A:GLU59 4.9 91.4 1.0 OE1 A:GLU16 4.9 110.0 1.0 OG1 A:THR86 5.0 79.2 1.0 N A:MSE61 5.0 133.2 1.0 HG3 A:GLU16 5.0 132.2 1.0 HD3 A:LYS87 5.0 130.9 1.0

Fluorine binding site 2 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:80.1 occ:1.00 F2 A:BEF602 0.0 80.1 1.0 BE A:BEF602 1.6 71.6 1.0 H A:LYS87 2.1 114.2 1.0 HZ2 A:LYS108 2.2 100.5 1.0 OD1 A:ASP58 2.3 116.8 1.0 HG3 A:LYS87 2.4 131.8 1.0 HA A:THR86 2.4 92.8 1.0 F3 A:BEF602 2.5 75.1 1.0 F1 A:BEF602 2.6 68.1 1.0 HD2 A:LYS108 2.7 94.5 1.0 N A:LYS87 2.9 95.1 1.0 HG1 A:THR86 2.9 95.2 1.0 NZ A:LYS108 3.0 83.7 1.0 HZ3 A:LYS108 3.1 100.5 1.0 HE3 A:LYS87 3.1 132.5 1.0 CA A:THR86 3.2 77.3 1.0 CG A:LYS87 3.2 109.8 1.0 CG A:ASP58 3.4 110.6 1.0 HD2 A:LYS87 3.4 130.9 1.0 C A:THR86 3.5 74.4 1.0 CD A:LYS108 3.5 78.7 1.0 OG1 A:THR86 3.6 79.2 1.0 HZ1 A:LYS108 3.6 100.5 1.0 CD A:LYS87 3.6 109.0 1.0 O A:HOH720 3.7 65.6 1.0 CE A:LYS108 3.7 80.6 1.0 CE A:LYS87 3.8 110.3 1.0 OD2 A:ASP58 3.8 115.9 1.0 HD3 A:LYS108 3.8 94.5 1.0 CB A:THR86 3.9 78.4 1.0 CB A:LYS87 3.9 108.3 1.0 HG2 A:LYS87 3.9 131.8 1.0 CA A:LYS87 4.0 104.5 1.0 HB A:THR86 4.0 94.2 1.0 HE3 A:LYS108 4.0 96.8 1.0 HB2 A:LYS87 4.0 130.0 1.0 HZ2 A:LYS87 4.0 133.7 1.0 O A:ILE85 4.2 69.9 1.0 H A:ASN60 4.2 111.7 1.0 N A:THR86 4.4 73.9 1.0 MG A:MG601 4.4 73.8 1.0 H A:GLU59 4.4 109.8 1.0 NZ A:LYS87 4.4 111.3 1.0 HA A:LYS87 4.4 125.5 1.0 H A:SER88 4.5 136.6 1.0 OD2 A:ASP14 4.5 91.5 1.0 HB3 A:ASN60 4.5 111.2 1.0 HE2 A:LYS87 4.6 132.5 1.0 HE2 A:LYS108 4.6 96.8 1.0 HD3 A:LYS87 4.6 130.9 1.0 CB A:ASP58 4.6 99.2 1.0 O A:THR86 4.7 71.7 1.0 HB2 A:ASP58 4.7 119.2 1.0 HG3 A:LYS108 4.7 95.7 1.0 CG A:LYS108 4.7 79.7 1.0 C A:ILE85 4.7 72.8 1.0 HB2 A:LYS108 4.7 95.0 1.0 HA A:ASP58 4.8 101.9 1.0 HZ1 A:LYS87 4.8 133.7 1.0 HB3 A:LYS87 4.8 130.0 1.0 N A:GLU59 5.0 91.4 1.0

Fluorine binding site 3 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:75.1 occ:1.00 F3 A:BEF602 0.0 75.1 1.0 BE A:BEF602 1.5 71.6 1.0 H A:ASN60 1.9 111.7 1.0 HG1 A:THR86 1.9 95.2 1.0 F2 A:BEF602 2.5 80.1 1.0 OD1 A:ASP58 2.5 116.8 1.0 F1 A:BEF602 2.5 68.1 1.0 OG1 A:THR86 2.6 79.2 1.0 N A:ASN60 2.7 93.4 1.0 H A:GLU59 2.8 109.8 1.0 HB3 A:GLU59 2.8 109.8 1.0 HB A:THR86 3.0 94.2 1.0 CG A:ASP58 3.1 110.6 1.0 HB3 A:ASN60 3.1 111.2 1.0 HA A:THR86 3.2 92.8 1.0 N A:GLU59 3.2 91.4 1.0 H A:LYS87 3.2 114.2 1.0 CB A:THR86 3.3 78.4 1.0 OD2 A:ASP58 3.4 115.9 1.0 HB2 A:ASN60 3.4 111.2 1.0 CB A:GLU59 3.5 91.4 1.0 CB A:ASN60 3.6 93.1 1.0 CA A:GLU59 3.6 90.7 1.0 C A:GLU59 3.6 98.2 1.0 CA A:ASN60 3.6 93.5 1.0 CA A:THR86 3.7 77.3 1.0 HB2 A:GLU59 3.7 109.8 1.0 N A:LYS87 3.9 95.1 1.0 C A:ASP58 4.0 84.6 1.0 MG A:MG601 4.1 73.8 1.0 H A:SER88 4.1 136.6 1.0 HD2 A:LYS87 4.1 130.9 1.0 O A:ASN60 4.2 96.2 1.0 HZ2 A:LYS108 4.2 100.5 1.0 HA A:ASP58 4.2 101.9 1.0 HG3 A:LYS87 4.3 131.8 1.0 C A:ASN60 4.3 95.1 1.0 C A:THR86 4.4 74.4 1.0 CB A:ASP58 4.4 99.2 1.0 HA A:ASN60 4.4 111.7 1.0 CA A:ASP58 4.5 84.8 1.0 HZ2 A:LYS87 4.5 133.7 1.0 HA A:GLU59 4.6 109.0 1.0 OE1 A:GLU59 4.6 95.8 1.0 HB2 A:LYS87 4.7 130.0 1.0 CG2 A:THR86 4.7 76.2 1.0 O A:ILE85 4.7 69.9 1.0 O A:HOH720 4.7 65.6 1.0 O A:GLU59 4.8 92.1 1.0 HG21 A:THR86 4.8 91.5 1.0 HE3 A:LYS87 4.8 132.5 1.0 CG A:GLU59 4.8 93.8 1.0 CD A:LYS87 4.9 109.0 1.0 HB2 A:ASP58 4.9 119.2 1.0 CG A:LYS87 4.9 109.8 1.0 O A:ASP58 4.9 85.8 1.0 N A:SER88 4.9 113.8 1.0 HB3 A:SER88 4.9 131.0 1.0 N A:THR86 5.0 73.9 1.0 HD2 A:LYS108 5.0 94.5 1.0 HB3 A:ASP58 5.0 119.2 1.0

Fluorine binding site 4 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ B:F602 b:113.2 occ:1.00 F1 B:BEF602 0.0 113.2 1.0 BE B:BEF602 1.5 114.5 1.0 MG B:MG601 1.9 114.1 1.0 OD2 B:ASP58 2.5 121.8 1.0 F3 B:BEF602 2.5 114.3 1.0 O B:ASN60 2.6 120.1 1.0 F2 B:BEF602 2.6 110.4 1.0 O B:HOH707 2.6 87.7 1.0 HB3 B:ASN60 2.7 161.6 1.0 OD1 B:ASP58 2.8 119.9 1.0 HE3 B:LYS87 3.0 130.3 1.0 CG B:ASP58 3.0 120.2 1.0 H B:ASN60 3.1 166.1 1.0 CB B:ASN60 3.4 134.6 1.0 C B:ASN60 3.5 128.7 1.0 HB2 B:ASN60 3.5 161.6 1.0 HZ3 B:LYS108 3.5 151.7 1.0 OD1 B:ASP15 3.6 153.7 1.0 N B:ASN60 3.6 138.3 1.0 CA B:ASN60 3.7 134.0 1.0 HZ2 B:LYS87 3.7 131.6 1.0 HZ2 B:LYS108 3.8 151.7 1.0 HG2 B:LYS87 3.8 142.1 1.0 CE B:LYS87 3.8 108.5 1.0 NZ B:LYS108 4.0 126.4 1.0 HZ1 B:LYS87 4.0 131.6 1.0 NZ B:LYS87 4.1 109.6 1.0 HZ1 B:LYS108 4.1 151.7 1.0 OG1 B:THR86 4.3 143.4 1.0 H B:LYS87 4.3 178.8 1.0 HD2 B:LYS87 4.3 136.4 1.0 OD2 B:ASP15 4.4 170.9 1.0 CG B:ASP15 4.4 149.3 1.0 CD B:LYS87 4.5 113.6 1.0 HD22 B:ASN60 4.5 163.4 1.0 HG1 B:THR86 4.5 172.2 1.0 CB B:ASP58 4.5 117.9 1.0 OD1 B:ASP14 4.5 148.8 1.0 HG3 B:MSE61 4.5 171.3 1.0 HE2 B:LYS87 4.5 130.3 1.0 CG B:LYS87 4.6 118.4 1.0 HA B:ASN60 4.6 160.9 1.0 HG3 B:GLU16 4.7 184.6 1.0 H B:GLU59 4.7 148.1 1.0 CG B:ASN60 4.7 135.6 1.0 N B:MSE61 4.7 133.3 1.0 C B:GLU59 4.7 138.4 1.0 HA B:THR86 4.8 147.8 1.0 HB3 B:ASP58 4.8 141.6 1.0 OD2 B:ASP14 4.9 142.9 1.0 HB2 B:ASP58 4.9 141.6 1.0 N B:GLU59 4.9 123.4 1.0 HZ3 B:LYS87 4.9 131.6 1.0 HA B:MSE61 4.9 168.4 1.0 H B:ASP15 5.0 133.3 1.0 CG B:ASP14 5.0 147.8 1.0 ND2 B:ASN60 5.0 136.1 1.0

Fluorine binding site 5 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ B:F602 b:110.4 occ:1.00 F2 B:BEF602 0.0 110.4 1.0 H B:ASN60 1.5 166.1 1.0 BE B:BEF602 1.6 114.5 1.0 HG1 B:THR86 2.0 172.2 1.0 OG1 B:THR86 2.0 143.4 1.0 OD1 B:ASP58 2.1 119.9 1.0 N B:ASN60 2.3 138.3 1.0 F3 B:BEF602 2.6 114.3 1.0 F1 B:BEF602 2.6 113.2 1.0 H B:GLU59 2.7 148.1 1.0 HB3 B:GLU59 2.7 152.8 1.0 HB2 B:ASN60 2.8 161.6 1.0 N B:GLU59 3.1 123.4 1.0 CG B:ASP58 3.2 120.2 1.0 CB B:THR86 3.2 143.5 1.0 CA B:ASN60 3.3 134.0 1.0 CB B:ASN60 3.3 134.6 1.0 C B:GLU59 3.3 138.4 1.0 HB3 B:ASN60 3.3 161.6 1.0 HB B:THR86 3.4 172.2 1.0 CA B:GLU59 3.4 128.2 1.0 H B:LYS87 3.4 178.8 1.0 CB B:GLU59 3.4 127.3 1.0 HG2 B:LYS87 3.6 142.1 1.0 HA B:THR86 3.6 147.8 1.0 OD2 B:ASP58 3.6 121.8 1.0 O B:ASN60 3.8 120.1 1.0 HB2 B:GLU59 3.8 152.8 1.0 MG B:MG601 3.9 114.1 1.0 C B:ASN60 4.0 128.7 1.0 CA B:THR86 4.0 123.1 1.0 C B:ASP58 4.0 119.9 1.0 HA B:ASN60 4.1 160.9 1.0 N B:LYS87 4.1 148.9 1.0 H B:SER88 4.1 134.9 1.0 HZ2 B:LYS108 4.1 151.7 1.0 OE1 B:GLU59 4.2 123.8 1.0 HE3 B:LYS87 4.3 130.3 1.0 HA B:ASP58 4.3 141.9 1.0 HA B:GLU59 4.4 153.9 1.0 CG2 B:THR86 4.4 149.9 1.0 HG21 B:THR86 4.4 180.0 1.0 CB B:ASP58 4.4 117.9 1.0 O B:GLU59 4.4 147.9 1.0 CA B:ASP58 4.5 118.1 1.0 HZ3 B:LYS108 4.5 151.7 1.0 CG B:LYS87 4.6 118.4 1.0 HB2 B:SER88 4.6 134.6 1.0 C B:THR86 4.6 111.8 1.0 HG23 B:THR86 4.7 180.0 1.0 CG B:GLU59 4.7 123.4 1.0 CG B:ASN60 4.7 135.6 1.0 NZ B:LYS108 4.8 126.4 1.0 O B:ASP58 4.8 120.6 1.0 N B:SER88 4.9 112.3 1.0 CD B:GLU59 4.9 123.1 1.0 O B:HOH707 4.9 87.7 1.0 HG3 B:LYS87 4.9 142.1 1.0 HB2 B:ASP58 5.0 141.6 1.0 HB3 B:ASP58 5.0 141.6 1.0

Fluorine binding site 6 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ B:F602 b:114.3 occ:1.00 F3 B:BEF602 0.0 114.3 1.0 BE B:BEF602 1.6 114.5 1.0 HZ2 B:LYS108 2.0 151.7 1.0 HZ3 B:LYS108 2.1 151.7 1.0 H B:LYS87 2.1 178.8 1.0 OD1 B:ASP58 2.3 119.9 1.0 NZ B:LYS108 2.4 126.4 1.0 HA B:THR86 2.5 147.8 1.0 F1 B:BEF602 2.5 113.2 1.0 F2 B:BEF602 2.6 110.4 1.0 HE3 B:LYS87 2.7 130.3 1.0 N B:LYS87 2.9 148.9 1.0 HG2 B:LYS87 2.9 142.1 1.0 OG1 B:THR86 2.9 143.4 1.0 HZ1 B:LYS108 3.0 151.7 1.0 HD3 B:LYS108 3.0 148.8 1.0 CG B:ASP58 3.1 120.2 1.0 CA B:THR86 3.2 123.1 1.0 HD2 B:LYS108 3.3 148.8 1.0 OD2 B:ASP58 3.4 121.8 1.0 CD B:LYS108 3.5 124.0 1.0 C B:THR86 3.5 111.8 1.0 HB3 B:LYS87 3.5 152.1 1.0 CE B:LYS108 3.5 125.5 1.0 HG1 B:THR86 3.5 172.2 1.0 CB B:THR86 3.6 143.5 1.0 CE B:LYS87 3.6 108.5 1.0 CG B:LYS87 3.7 118.4 1.0 O B:HOH707 3.7 87.7 1.0 CB B:LYS87 3.9 126.7 1.0 HE2 B:LYS87 3.9 130.3 1.0 H B:ASN60 3.9 166.1 1.0 CA B:LYS87 4.0 133.8 1.0 HB B:THR86 4.0 172.2 1.0 H B:GLU59 4.1 148.1 1.0 HE3 B:LYS108 4.1 150.6 1.0 HE2 B:LYS108 4.1 150.6 1.0 MG B:MG601 4.1 114.1 1.0 CD B:LYS87 4.2 113.6 1.0 CB B:ASP58 4.3 117.9 1.0 O B:ILE85 4.3 118.5 1.0 H B:SER88 4.3 134.9 1.0 HB2 B:ASP58 4.4 141.6 1.0 OD2 B:ASP14 4.4 142.9 1.0 HG3 B:LYS87 4.4 142.1 1.0 N B:THR86 4.5 102.2 1.0 HA B:ASP58 4.5 141.9 1.0 HD2 B:LYS87 4.5 136.4 1.0 HA B:LYS87 4.6 160.7 1.0 NZ B:LYS87 4.6 109.6 1.0 HZ1 B:LYS87 4.6 131.6 1.0 N B:GLU59 4.7 123.4 1.0 HZ2 B:LYS87 4.7 131.6 1.0 O B:THR86 4.7 112.4 1.0 N B:ASN60 4.7 138.3 1.0 HB3 B:ASN60 4.7 161.6 1.0 HB2 B:LYS108 4.8 143.6 1.0 HB2 B:ASN60 4.8 161.6 1.0 HB2 B:LYS87 4.8 152.1 1.0 C B:ILE85 4.9 111.7 1.0 O B:ASN60 4.9 120.1 1.0 CA B:ASP58 4.9 118.1 1.0 N B:SER88 4.9 112.3 1.0 CG2 B:THR86 4.9 149.9 1.0 C B:LYS87 5.0 122.2 1.0 CG B:LYS108 5.0 121.1 1.0 HG23 B:THR86 5.0 180.0 1.0

Fluorine binding site 7 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ C:F602 b:53.0 occ:1.00 F1 C:BEF602 0.0 53.0 1.0 BE C:BEF602 1.5 52.0 1.0 MG C:MG601 2.1 61.9 1.0 OD2 C:ASP58 2.4 84.0 1.0 HB3 C:ASN60 2.5 102.2 1.0 F3 C:BEF602 2.5 57.3 1.0 F2 C:BEF602 2.6 53.2 1.0 O C:HOH775 2.6 72.1 1.0 O C:HOH722 2.6 49.0 1.0 OD1 C:ASP58 2.7 85.1 1.0 H C:ASN60 2.8 94.2 1.0 O C:ASN60 2.9 91.8 1.0 CG C:ASP58 2.9 80.3 1.0 HD3 C:LYS87 3.0 100.1 1.0 HD2 C:LYS87 3.2 100.1 1.0 HZ2 C:LYS108 3.3 79.7 1.0 CB C:ASN60 3.3 85.1 1.0 N C:ASN60 3.4 78.4 1.0 HZ2 C:LYS87 3.5 99.2 1.0 CD C:LYS87 3.6 83.4 1.0 C C:ASN60 3.6 82.0 1.0 CA C:ASN60 3.6 81.9 1.0 HB2 C:ASN60 3.7 102.2 1.0 OD1 C:ASP15 3.9 101.9 1.0 NZ C:LYS108 3.9 66.4 1.0 H C:GLU59 4.0 90.5 1.0 HZ1 C:LYS108 4.0 79.7 1.0 HZ3 C:LYS87 4.0 99.2 1.0 HG1 C:THR86 4.0 79.4 1.0 HZ3 C:LYS108 4.1 79.7 1.0 NZ C:LYS87 4.1 82.6 1.0 O C:HOH800 4.2 68.2 1.0 H C:LYS87 4.3 83.8 1.0 OE2 C:GLU16 4.4 85.4 1.0 CE C:LYS87 4.4 81.8 1.0 CB C:ASP58 4.4 79.1 1.0 CG C:ASN60 4.5 86.1 1.0 N C:GLU59 4.6 75.3 1.0 HG2 C:LYS87 4.6 94.9 1.0 HA C:ASN60 4.6 98.4 1.0 OD2 C:ASP15 4.6 102.7 1.0 C C:GLU59 4.6 67.8 1.0 HD22 C:ASN60 4.6 105.4 1.0 CG C:ASP15 4.7 99.8 1.0 CG C:LYS87 4.7 79.0 1.0 HA C:THR86 4.7 73.2 1.0 HB3 C:ASP58 4.8 95.0 1.0 HE3 C:LYS87 4.8 98.3 1.0 HB2 C:ASP58 4.8 95.0 1.0 OG1 C:THR86 4.9 66.1 1.0 HB3 C:GLU59 4.9 85.5 1.0 N C:MSE61 4.9 95.0 1.0 HG3 C:MSE61 4.9 107.3 1.0 HZ1 C:LYS87 4.9 99.2 1.0 HG2 C:MSE61 4.9 107.3 1.0 O C:HOH785 4.9 68.5 1.0 ND2 C:ASN60 4.9 87.7 1.0

Fluorine binding site 8 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ C:F602 b:53.2 occ:1.00 F2 C:BEF602 0.0 53.2 1.0 BE C:BEF602 1.6 52.0 1.0 HZ2 C:LYS108 1.8 79.7 1.0 H C:LYS87 2.0 83.8 1.0 OD1 C:ASP58 2.3 85.1 1.0 HD2 C:LYS87 2.3 100.1 1.0 HA C:THR86 2.4 73.2 1.0 HG1 C:THR86 2.5 79.4 1.0 F3 C:BEF602 2.5 57.3 1.0 F1 C:BEF602 2.6 53.0 1.0 NZ C:LYS108 2.7 66.4 1.0 N C:LYS87 2.8 69.8 1.0 HD2 C:LYS108 3.0 76.5 1.0 CD C:LYS87 3.1 83.4 1.0 HZ1 C:LYS108 3.1 79.7 1.0 HD3 C:LYS87 3.2 100.1 1.0 CA C:THR86 3.2 60.9 1.0 OG1 C:THR86 3.2 66.1 1.0 HZ3 C:LYS108 3.2 79.7 1.0 HE3 C:LYS108 3.3 77.1 1.0 CG C:ASP58 3.4 80.3 1.0 CE C:LYS108 3.4 64.2 1.0 HG2 C:LYS87 3.4 94.9 1.0 C C:THR86 3.4 57.2 1.0 HB3 C:LYS87 3.5 92.5 1.0 CG C:LYS87 3.6 79.0 1.0 CB C:THR86 3.7 59.9 1.0 CD C:LYS108 3.7 63.7 1.0 H C:GLU59 3.7 90.5 1.0 O C:HOH722 3.8 49.0 1.0 CB C:LYS87 3.9 77.0 1.0 OD2 C:ASP58 3.9 84.0 1.0 H C:ASN60 3.9 94.2 1.0 HB C:THR86 3.9 72.0 1.0 CA C:LYS87 3.9 77.1 1.0 O C:HOH800 4.0 68.2 1.0 H C:SER88 4.2 85.9 1.0 O C:ILE85 4.2 62.1 1.0 HD3 C:LYS108 4.2 76.5 1.0 CE C:LYS87 4.3 81.8 1.0 HE2 C:LYS108 4.3 77.1 1.0 HZ2 C:LYS87 4.4 99.2 1.0 N C:THR86 4.4 57.9 1.0 HE3 C:LYS87 4.4 98.3 1.0 MG C:MG601 4.5 61.9 1.0 HA C:ASP58 4.5 86.8 1.0 HB3 C:ASN60 4.5 102.2 1.0 N C:GLU59 4.5 75.3 1.0 HA C:LYS87 4.6 92.6 1.0 HG3 C:LYS87 4.6 94.9 1.0 HG3 C:LYS108 4.6 80.3 1.0 O C:THR86 4.6 58.3 1.0 CB C:ASP58 4.7 79.1 1.0 HB3 C:GLU59 4.7 85.5 1.0 N C:ASN60 4.7 78.4 1.0 N C:SER88 4.7 71.5 1.0 C C:ILE85 4.8 64.8 1.0 O C:HOH775 4.8 72.1 1.0 NZ C:LYS87 4.8 82.6 1.0 C C:LYS87 4.8 74.8 1.0 CG C:LYS108 4.8 66.8 1.0 HB2 C:LYS87 4.8 92.5 1.0 HB2 C:ASP58 4.9 95.0 1.0 OD2 C:ASP14 4.9 69.2 1.0 HZ3 C:LYS87 5.0 99.2 1.0

Fluorine binding site 9 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ C:F602 b:57.3 occ:1.00 F3 C:BEF602 0.0 57.3 1.0 H C:ASN60 1.5 94.2 1.0 BE C:BEF602 1.5 52.0 1.0 HG1 C:THR86 2.0 79.4 1.0 H C:GLU59 2.1 90.5 1.0 N C:ASN60 2.4 78.4 1.0 HB3 C:GLU59 2.5 85.5 1.0 F2 C:BEF602 2.5 53.2 1.0 F1 C:BEF602 2.5 53.0 1.0 OD1 C:ASP58 2.5 85.1 1.0 OG1 C:THR86 2.8 66.1 1.0 N C:GLU59 2.8 75.3 1.0 O C:HOH800 3.0 68.2 1.0 CB C:GLU59 3.1 71.2 1.0 CA C:GLU59 3.1 70.2 1.0 CG C:ASP58 3.2 80.3 1.0 C C:GLU59 3.2 67.8 1.0 HB3 C:ASN60 3.2 102.2 1.0 HB2 C:ASN60 3.3 102.2 1.0 OD2 C:ASP58 3.4 84.0 1.0 CA C:ASN60 3.4 81.9 1.0 HB C:THR86 3.5 72.0 1.0 CB C:ASN60 3.5 85.1 1.0 HB2 C:GLU59 3.5 85.5 1.0 CB C:THR86 3.6 59.9 1.0 HA C:THR86 3.6 73.2 1.0 H C:LYS87 3.7 83.8 1.0 C C:ASP58 4.0 67.7 1.0 HD3 C:LYS87 4.0 100.1 1.0 HZ2 C:LYS108 4.1 79.7 1.0 OE1 C:GLU59 4.1 78.6 1.0 HA C:GLU59 4.1 84.3 1.0 CA C:THR86 4.1 60.9 1.0 HD2 C:LYS87 4.1 100.1 1.0 MG C:MG601 4.2 61.9 1.0 HA C:ASP58 4.2 86.8 1.0 HA C:ASN60 4.2 98.4 1.0 C C:ASN60 4.2 82.0 1.0 O C:ASN60 4.2 91.8 1.0 CB C:ASP58 4.3 79.1 1.0 HG2 C:LYS87 4.3 94.9 1.0 O C:GLU59 4.4 64.7 1.0 CA C:ASP58 4.4 72.2 1.0 N C:LYS87 4.4 69.8 1.0 CG C:GLU59 4.4 75.7 1.0 CD C:LYS87 4.5 83.4 1.0 H C:SER88 4.5 85.9 1.0 HB2 C:SER88 4.7 73.7 1.0 CD C:GLU59 4.7 78.7 1.0 HB3 C:ASP58 4.8 95.0 1.0 C C:THR86 4.8 57.2 1.0 O C:HOH722 4.8 49.0 1.0 NZ C:LYS108 4.8 66.4 1.0 HZ1 C:LYS108 4.9 79.7 1.0 O C:HOH775 4.9 72.1 1.0 HG3 C:GLU59 4.9 90.9 1.0 CG C:LYS87 4.9 79.0 1.0 CG C:ASN60 5.0 86.1 1.0 CG2 C:THR86 5.0 61.9 1.0 O C:ASP58 5.0 57.8 1.0 HB2 C:ASP58 5.0 95.0 1.0

Fluorine binding site 10 out of 12 in the X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of X-Ray Structure of Dimeric Porx (T272A Mutant), in Complex with Pgpg. within 5.0Å range: probe atom residue distance (Å) B Occ D:F602 b:77.7 occ:1.00 F1 D:BEF602 0.0 77.7 1.0 BE D:BEF602 1.5 74.2 1.0 MG D:MG601 1.8 81.5 1.0 O D:HOH719 2.4 80.2 1.0 F3 D:BEF602 2.5 73.0 1.0 HB3 D:ASN60 2.6 152.9 1.0 OD2 D:ASP58 2.6 107.7 1.0 F2 D:BEF602 2.6 79.3 1.0 O D:HOH739 2.8 73.0 1.0 OD1 D:ASP58 2.8 104.3 1.0 O D:ASN60 2.8 113.4 1.0 H D:ASN60 2.9 125.9 1.0 HZ2 D:LYS87 2.9 148.9 1.0 CG D:ASP58 3.0 102.8 1.0 CB D:ASN60 3.4 127.4 1.0 N D:ASN60 3.5 104.9 1.0 C D:ASN60 3.6 104.6 1.0 HG1 D:THR86 3.6 129.9 1.0 CA D:ASN60 3.7 110.6 1.0 NZ D:LYS87 3.8 124.0 1.0 HG2 D:LYS87 3.8 142.6 1.0 OD1 D:ASP15 3.8 110.8 1.0 HB2 D:ASN60 3.9 152.9 1.0 HD22 D:ASN60 4.0 218.8 1.0 HZ2 D:LYS108 4.0 113.9 1.0 HZ1 D:LYS87 4.0 148.9 1.0 H D:GLU59 4.2 122.9 1.0 HZ3 D:LYS87 4.2 148.9 1.0 CG D:ASN60 4.4 154.9 1.0 OG1 D:THR86 4.4 108.2 1.0 HE3 D:LYS87 4.5 145.5 1.0 H D:LYS87 4.5 133.2 1.0 HD2 D:LYS87 4.5 146.4 1.0 ND2 D:ASN60 4.5 182.3 1.0 CB D:ASP58 4.5 99.7 1.0 OE1 D:GLU16 4.6 114.2 1.0 CE D:LYS87 4.6 121.2 1.0 N D:GLU59 4.6 102.4 1.0 CG D:LYS87 4.7 118.8 1.0 HA D:ASN60 4.7 132.8 1.0 HG3 D:MSE61 4.7 141.1 1.0 HG3 D:GLU16 4.7 143.4 1.0 C D:GLU59 4.7 106.0 1.0 CG D:ASP15 4.7 110.9 1.0 OD2 D:ASP15 4.8 116.8 1.0 HB3 D:ASP58 4.8 119.8 1.0 CD D:LYS87 4.8 122.0 1.0 HA D:THR86 4.8 105.4 1.0 NZ D:LYS108 4.8 94.8 1.0 HB3 D:GLU59 4.9 116.8 1.0 N D:MSE61 4.9 127.8 1.0 HZ1 D:LYS108 4.9 113.9 1.0 OD1 D:ASP14 4.9 86.0 1.0 HB2 D:ASP58 5.0 119.8 1.0

C.Schmitz, M.Madej, Z.Nowakowska, A.Cuppari, A.Jacula, M.Ksiazek, K.Mikruta, J.Wisniewski, N.Pudelko-Malik, A.Saran, N.Zeytuni, P.Mlynarz, R.J.Lamont, I.Uson, V.Siksnys, J.Potempa, M.Sola. Response Regulator Porx Coordinates Oligonucleotide Signalling and Gene Expression to Control the Secretion of Virulence Factors. Nucleic Acids Res. V. 50 12558 2022.
ISSN: ESSN 1362-4962
PubMed: 36464236
DOI: 10.1093/NAR/GKAC1103