Fluorine in PDB 7pva: 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc

The structure of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc, PDB code: 7pva 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)	68.59 / 1.91
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	61.48, 77.29, 138.83, 82.42, 81.61, 76.51
R / Rfree (%)	15.9 / 19.2

The structure of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc also contains other interesting chemical elements:

Magnesium	(Mg)	11 atoms
Chlorine	(Cl)	2 atoms
Zinc	(Zn)	6 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Fluorine atom in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc (pdb code 7pva). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 24 binding sites of Fluorine where determined in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc, PDB code: 7pva:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:36.6 occ:1.00 F1 A:BEF602 0.0 36.6 1.0 BE A:BEF602 1.5 34.5 1.0 MG A:MG601 2.0 43.1 1.0 F3 A:BEF602 2.4 39.7 1.0 HB3 A:ASN60 2.5 50.8 1.0 F2 A:BEF602 2.5 37.6 1.0 OD1 A:ASP58 2.5 39.4 1.0 H A:ASN60 2.8 43.6 1.0 OD2 A:ASP58 2.9 45.5 1.0 O A:HOH872 2.9 40.6 1.0 O A:ASN60 2.9 46.0 1.0 O A:HOH920 3.0 44.1 1.0 CG A:ASP58 3.0 42.8 1.0 CB A:ASN60 3.3 42.3 1.0 HE3 A:LYS87 3.4 72.1 1.0 N A:ASN60 3.4 36.3 1.0 HG2 A:LYS87 3.5 61.2 1.0 O A:HOH980 3.6 56.3 1.0 HZ2 A:LYS108 3.6 55.9 1.0 CA A:ASN60 3.7 37.6 1.0 HZ2 A:LYS87 3.7 76.1 1.0 C A:ASN60 3.7 37.5 1.0 HB2 A:ASN60 3.8 50.8 1.0 H A:GLU59 4.0 47.9 1.0 OD1 A:ASP15 4.0 55.1 1.0 HG1 A:THR86 4.1 44.4 1.0 CE A:LYS87 4.1 60.1 1.0 H A:LYS87 4.2 45.1 1.0 O A:HOH932 4.2 47.3 1.0 HD2 A:LYS87 4.2 65.7 1.0 NZ A:LYS87 4.2 63.4 1.0 NZ A:LYS108 4.4 46.5 1.0 CG A:LYS87 4.4 51.0 1.0 HZ1 A:LYS87 4.4 76.1 1.0 O A:HOH1014 4.4 65.2 1.0 CG A:ASN60 4.5 47.3 1.0 HZ1 A:LYS108 4.5 55.9 1.0 CD A:LYS87 4.5 54.7 1.0 N A:GLU59 4.5 39.9 1.0 CB A:ASP58 4.5 37.1 1.0 C A:GLU59 4.6 37.3 1.0 HA A:ASN60 4.6 45.1 1.0 HZ3 A:LYS108 4.7 55.9 1.0 HA A:THR86 4.7 39.5 1.0 HB3 A:GLU59 4.8 41.1 1.0 OE1 A:GLU16 4.8 46.7 1.0 HD22 A:ASN60 4.8 61.3 1.0 HG3 A:MSE61 4.8 54.8 1.0 HG3 A:LYS87 4.9 61.2 1.0 HB3 A:ASP58 4.9 44.6 1.0 OG1 A:THR86 4.9 37.0 1.0 N A:MSE61 5.0 43.6 1.0 HE2 A:LYS87 5.0 72.1 1.0

Fluorine binding site 2 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:37.6 occ:1.00 F2 A:BEF602 0.0 37.6 1.0 BE A:BEF602 1.5 34.5 1.0 HZ2 A:LYS108 2.0 55.9 1.0 H A:LYS87 2.0 45.1 1.0 F3 A:BEF602 2.4 39.7 1.0 OD1 A:ASP58 2.5 39.4 1.0 F1 A:BEF602 2.5 36.6 1.0 HG2 A:LYS87 2.6 61.2 1.0 HA A:THR86 2.6 39.5 1.0 HE3 A:LYS87 2.8 72.1 1.0 N A:LYS87 2.8 37.5 1.0 NZ A:LYS108 2.9 46.5 1.0 HD2 A:LYS108 2.9 49.7 1.0 HG1 A:THR86 3.0 44.4 1.0 HZ1 A:LYS108 3.3 55.9 1.0 HZ3 A:LYS108 3.4 55.9 1.0 HE3 A:LYS108 3.4 46.3 1.0 CG A:LYS87 3.4 51.0 1.0 CA A:THR86 3.5 32.9 1.0 CE A:LYS108 3.5 38.6 1.0 HB3 A:LYS87 3.5 50.1 1.0 O A:HOH872 3.6 40.6 1.0 CG A:ASP58 3.6 42.8 1.0 C A:THR86 3.6 31.8 1.0 CD A:LYS108 3.6 41.4 1.0 OG1 A:THR86 3.7 37.0 1.0 CE A:LYS87 3.7 60.1 1.0 CB A:LYS87 3.8 41.7 1.0 CA A:LYS87 3.9 36.2 1.0 MG A:MG601 4.0 43.1 1.0 H A:GLU59 4.0 47.9 1.0 OD2 A:ASP58 4.1 45.5 1.0 HD3 A:LYS108 4.1 49.7 1.0 CD A:LYS87 4.1 54.7 1.0 CB A:THR86 4.1 38.8 1.0 HG3 A:LYS87 4.1 61.2 1.0 H A:ASN60 4.1 43.6 1.0 O A:ILE85 4.2 35.3 1.0 HE2 A:LYS87 4.2 72.1 1.0 HB A:THR86 4.3 46.6 1.0 HD2 A:LYS87 4.4 65.7 1.0 HE2 A:LYS108 4.4 46.3 1.0 HZ2 A:LYS87 4.4 76.1 1.0 H A:SER88 4.4 46.3 1.0 HA A:LYS87 4.5 43.5 1.0 HA A:ASP58 4.5 42.9 1.0 NZ A:LYS87 4.6 63.4 1.0 O A:HOH932 4.6 47.3 1.0 N A:THR86 4.6 30.3 1.0 OD2 A:ASP14 4.6 39.6 1.0 HB3 A:ASN60 4.6 50.8 1.0 O A:HOH846 4.7 46.0 1.0 HZ1 A:LYS87 4.7 76.1 1.0 HG3 A:LYS108 4.7 43.8 1.0 HB2 A:LYS87 4.7 50.1 1.0 N A:GLU59 4.8 39.9 1.0 CB A:ASP58 4.8 37.1 1.0 O A:THR86 4.8 34.0 1.0 CG A:LYS108 4.8 36.5 1.0 C A:ILE85 4.9 31.1 1.0 C A:LYS87 4.9 42.1 1.0 N A:SER88 4.9 38.5 1.0 HD3 A:LYS87 5.0 65.7 1.0 HB3 A:GLU59 5.0 41.1 1.0 HB2 A:ASP58 5.0 44.6 1.0 N A:ASN60 5.0 36.3 1.0

Fluorine binding site 3 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:39.7 occ:1.00 F3 A:BEF602 0.0 39.7 1.0 BE A:BEF602 1.5 34.5 1.0 HG1 A:THR86 1.8 44.4 1.0 H A:ASN60 2.1 43.6 1.0 OD1 A:ASP58 2.3 39.4 1.0 H A:GLU59 2.3 47.9 1.0 F2 A:BEF602 2.4 37.6 1.0 F1 A:BEF602 2.4 36.6 1.0 OG1 A:THR86 2.7 37.0 1.0 HB3 A:GLU59 2.7 41.1 1.0 N A:ASN60 3.0 36.3 1.0 O A:HOH932 3.0 47.3 1.0 N A:GLU59 3.1 39.9 1.0 H A:LYS87 3.1 45.1 1.0 HA A:THR86 3.2 39.5 1.0 HG2 A:LYS87 3.4 61.2 1.0 HB3 A:ASN60 3.4 50.8 1.0 CG A:ASP58 3.4 42.8 1.0 HB A:THR86 3.4 46.6 1.0 CB A:GLU59 3.4 34.3 1.0 CB A:THR86 3.5 38.8 1.0 CA A:GLU59 3.6 37.6 1.0 HB2 A:ASN60 3.7 50.8 1.0 C A:GLU59 3.7 37.3 1.0 HB2 A:GLU59 3.8 41.1 1.0 CA A:THR86 3.8 32.9 1.0 N A:LYS87 3.8 37.5 1.0 CB A:ASN60 3.8 42.3 1.0 CA A:ASN60 3.9 37.6 1.0 OD2 A:ASP58 4.0 45.5 1.0 H A:SER88 4.0 46.3 1.0 HA A:ASP58 4.1 42.9 1.0 MG A:MG601 4.1 43.1 1.0 HZ2 A:LYS108 4.2 55.9 1.0 C A:ASP58 4.2 36.8 1.0 OE1 A:GLU59 4.3 50.3 1.0 CG A:LYS87 4.3 51.0 1.0 C A:THR86 4.3 31.8 1.0 O A:ASN60 4.5 46.0 1.0 HA A:GLU59 4.5 45.1 1.0 CA A:ASP58 4.5 35.7 1.0 CB A:ASP58 4.5 37.1 1.0 HE3 A:LYS87 4.5 72.1 1.0 HG3 A:LYS87 4.6 61.2 1.0 C A:ASN60 4.6 37.5 1.0 O A:HOH1014 4.7 65.2 1.0 HA A:ASN60 4.7 45.1 1.0 O A:ILE85 4.7 35.3 1.0 CG A:GLU59 4.7 41.0 1.0 N A:SER88 4.7 38.5 1.0 HB2 A:SER88 4.8 53.3 1.0 CG2 A:THR86 4.8 38.0 1.0 O A:HOH872 4.8 40.6 1.0 CA A:LYS87 4.9 36.2 1.0 CD A:GLU59 4.9 48.3 1.0 O A:GLU59 5.0 40.5 1.0 HB3 A:SER88 5.0 53.3 1.0 NZ A:LYS108 5.0 46.5 1.0

Fluorine binding site 4 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:F611 b:58.2 occ:1.00 F1 A:BEF611 0.0 58.2 1.0 BE A:BEF611 1.6 53.9 1.0 OG1 A:THR272 2.5 54.5 1.0 F2 A:BEF611 2.5 56.6 1.0 F3 A:BEF611 2.6 53.0 1.0 HB A:THR272 2.8 57.5 1.0 CB A:THR272 3.2 47.9 1.0 O A:HOH1051 3.2 80.8 1.0 O C:HOH796 3.4 63.4 1.0 HG21 A:THR272 3.5 53.9 1.0 OD2 A:ASP361 3.6 68.2 1.0 OE2 C:GLU302 3.7 120.0 1.0 ZN A:ZN604 3.7 46.4 0.2 O A:HOH1159 3.9 54.8 1.0 CG2 A:THR272 3.9 44.9 1.0 H A:THR272 3.9 44.1 1.0 O A:HOH792 4.2 50.7 1.0 ZN A:ZN603 4.2 47.6 0.8 O A:HOH917 4.3 45.0 1.0 HG23 A:THR272 4.3 53.9 1.0 CG A:ASP361 4.4 58.9 1.0 OE1 C:GLU302 4.4 119.3 1.0 HE1 A:HIS500 4.4 58.7 1.0 CD C:GLU302 4.5 116.6 1.0 CA A:THR272 4.5 41.5 1.0 N A:THR272 4.6 36.8 1.0 OD1 A:ASP361 4.6 59.9 1.0 HG22 A:THR272 4.7 53.9 1.0 OD1 A:ASP239 4.7 44.5 1.0 OD2 A:ASP239 5.0 41.8 1.0

Fluorine binding site 5 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:F611 b:56.6 occ:1.00 F2 A:BEF611 0.0 56.6 1.0 BE A:BEF611 1.6 53.9 1.0 ZN A:ZN604 2.1 46.4 0.2 OG1 A:THR272 2.4 54.5 1.0 F3 A:BEF611 2.5 53.0 1.0 F1 A:BEF611 2.5 58.2 1.0 OD1 A:ASP361 2.7 59.9 1.0 ZN A:ZN603 2.9 47.6 0.8 HE1 A:HIS500 3.0 58.7 1.0 OD2 A:ASP361 3.0 68.2 1.0 CG A:ASP361 3.1 58.9 1.0 NE2 A:HIS500 3.1 52.2 1.0 OD1 A:ASP239 3.2 44.5 1.0 CE1 A:HIS500 3.2 48.9 1.0 HE1 A:HIS416 3.3 49.4 1.0 NE2 A:HIS416 3.4 37.9 1.0 O C:HOH796 3.4 63.4 1.0 CE1 A:HIS416 3.7 41.2 1.0 H A:THR272 3.7 44.1 1.0 CB A:THR272 3.8 47.9 1.0 O A:HOH1051 4.0 80.8 1.0 HB A:THR272 4.1 57.5 1.0 NE2 A:HIS365 4.1 74.1 1.0 CG A:ASP239 4.2 36.5 1.0 HB2 A:ASN240 4.2 48.0 1.0 CD2 A:HIS500 4.2 47.6 1.0 HB2 A:ASP361 4.3 58.4 1.0 CB A:ASP361 4.3 48.7 1.0 HD22 A:ASN240 4.3 54.2 1.0 N A:THR272 4.3 36.8 1.0 ND1 A:HIS500 4.4 48.6 1.0 OD2 A:ASP239 4.5 41.8 1.0 HA A:ALA271 4.6 50.2 1.0 HG23 A:THR272 4.6 53.9 1.0 CA A:THR272 4.7 41.5 1.0 CG2 A:THR272 4.7 44.9 1.0 CD2 A:HIS416 4.7 39.4 1.0 HD2 A:HIS500 4.7 57.1 1.0 HG21 A:THR272 4.7 53.9 1.0 HB3 A:ASP361 4.7 58.4 1.0 HD1 A:HIS500 4.9 58.3 1.0 CG A:HIS500 4.9 46.2 1.0 HD2 A:HIS365 4.9 84.1 1.0 ND2 A:ASN240 4.9 45.2 1.0 HA A:THR272 4.9 49.9 1.0 CD2 A:HIS365 4.9 70.0 1.0 ND1 A:HIS416 5.0 38.1 1.0 OD2 A:ASP415 5.0 42.2 1.0

Fluorine binding site 6 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ A:F611 b:53.0 occ:1.00 F3 A:BEF611 0.0 53.0 1.0 BE A:BEF611 1.6 53.9 1.0 H A:THR272 2.1 44.1 1.0 HE1 A:HIS500 2.1 58.7 1.0 OG1 A:THR272 2.5 54.5 1.0 F2 A:BEF611 2.5 56.6 1.0 F1 A:BEF611 2.6 58.2 1.0 O C:HOH796 2.7 63.4 1.0 N A:THR272 3.0 36.8 1.0 O A:HOH917 3.0 45.0 1.0 CE1 A:HIS500 3.0 48.9 1.0 HB A:THR272 3.0 57.5 1.0 HB1 A:ALA271 3.2 50.6 1.0 CB A:THR272 3.2 47.9 1.0 HA A:ALA271 3.4 50.2 1.0 ZN A:ZN604 3.5 46.4 0.2 NE2 A:HIS500 3.6 52.2 1.0 CA A:THR272 3.7 41.5 1.0 O A:HOH966 3.8 97.2 1.0 C A:ALA271 3.9 40.6 1.0 CA A:ALA271 3.9 41.9 1.0 CB A:ALA271 3.9 42.2 1.0 H A:GLN273 4.0 54.2 1.0 ND1 A:HIS500 4.1 48.6 1.0 ZN A:ZN603 4.1 47.6 0.8 NE2 A:HIS416 4.3 37.9 1.0 HD1 A:HIS500 4.4 58.3 1.0 HB2 A:ALA271 4.4 50.6 1.0 HA A:THR272 4.4 49.9 1.0 N A:GLN273 4.6 45.1 1.0 HB3 A:ALA271 4.6 50.6 1.0 OE2 C:GLU302 4.6 120.0 1.0 CG2 A:THR272 4.6 44.9 1.0 O A:HOH1114 4.7 62.0 1.0 O A:HOH790 4.7 105.5 1.0 C A:THR272 4.7 41.9 1.0 OE1 C:GLU302 4.8 119.3 1.0 HE1 A:HIS416 4.8 49.4 1.0 HG21 A:THR272 4.8 53.9 1.0 CE1 A:HIS416 4.9 41.2 1.0 CD2 A:HIS500 4.9 47.6 1.0

Fluorine binding site 7 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ B:F602 b:30.5 occ:1.00 F1 B:BEF602 0.0 30.5 1.0 BE B:BEF602 1.6 28.9 1.0 MG B:MG601 1.7 40.5 1.0 F3 B:BEF602 2.5 32.6 1.0 HB3 B:ASN60 2.6 42.5 1.0 HE3 B:LYS87 2.6 61.8 1.0 OD1 B:ASP58 2.6 32.8 1.0 F2 B:BEF602 2.6 32.5 1.0 O B:ASN60 2.7 33.5 1.0 OD2 B:ASP58 2.7 34.4 1.0 O B:HOH828 2.8 34.1 1.0 O B:HOH852 2.8 33.1 1.0 H B:ASN60 2.9 46.3 1.0 CG B:ASP58 3.0 30.4 1.0 CB B:ASN60 3.4 35.4 1.0 N B:ASN60 3.5 38.5 1.0 CE B:LYS87 3.6 51.5 1.0 C B:ASN60 3.6 33.4 1.0 HZ2 B:LYS108 3.6 49.8 1.0 HG2 B:LYS87 3.6 49.3 1.0 CA B:ASN60 3.7 34.2 1.0 OD1 B:ASP15 3.8 38.0 1.0 HB2 B:ASN60 4.0 42.5 1.0 HE2 B:LYS87 4.0 61.8 1.0 H B:GLU59 4.1 40.0 1.0 HZ1 B:LYS87 4.2 73.6 1.0 O B:HOH1026 4.2 43.9 1.0 H B:LYS87 4.2 42.7 1.0 HZ2 B:LYS87 4.3 73.6 1.0 NZ B:LYS87 4.3 61.3 1.0 HD22 B:ASN60 4.3 63.9 1.0 HG1 B:THR86 4.3 40.8 1.0 HD2 B:LYS87 4.3 57.1 1.0 CD B:LYS87 4.3 47.6 1.0 NZ B:LYS108 4.4 41.5 1.0 CG B:LYS87 4.4 41.0 1.0 HZ1 B:LYS108 4.4 49.8 1.0 CG B:ASN60 4.5 47.7 1.0 CB B:ASP58 4.5 31.0 1.0 O B:HOH1000 4.5 57.2 1.0 OE2 B:GLU16 4.6 49.5 1.0 O B:HOH939 4.6 61.1 1.0 N B:GLU59 4.6 33.4 1.0 HA B:ASN60 4.7 41.0 1.0 HZ3 B:LYS108 4.7 49.8 1.0 ND2 B:ASN60 4.7 53.2 1.0 C B:GLU59 4.7 32.5 1.0 HA B:THR86 4.7 42.4 1.0 HG2 B:MSE61 4.8 51.2 1.0 HB3 B:ASP58 4.8 37.2 1.0 HB3 B:GLU59 4.8 42.5 1.0 CG B:ASP15 4.8 39.0 1.0 N B:MSE61 4.9 41.0 1.0 HB2 B:ASP58 4.9 37.2 1.0 HG3 B:MSE61 4.9 51.2 1.0 HG3 B:LYS87 4.9 49.3 1.0 OD2 B:ASP15 5.0 37.2 1.0

Fluorine binding site 8 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ B:F602 b:32.5 occ:1.00 F2 B:BEF602 0.0 32.5 1.0 BE B:BEF602 1.6 28.9 1.0 H B:LYS87 1.9 42.7 1.0 HZ2 B:LYS108 2.1 49.8 1.0 F3 B:BEF602 2.3 32.6 1.0 HG2 B:LYS87 2.4 49.3 1.0 OD1 B:ASP58 2.5 32.8 1.0 HA B:THR86 2.5 42.4 1.0 F1 B:BEF602 2.6 30.5 1.0 N B:LYS87 2.7 35.6 1.0 HE3 B:LYS87 2.7 61.8 1.0 HD2 B:LYS108 2.9 41.5 1.0 NZ B:LYS108 3.0 41.5 1.0 HG1 B:THR86 3.1 40.8 1.0 HE2 B:LYS87 3.1 61.8 1.0 CG B:LYS87 3.3 41.0 1.0 CE B:LYS87 3.3 51.5 1.0 HB3 B:LYS87 3.3 45.5 1.0 CA B:THR86 3.4 35.3 1.0 HZ1 B:LYS108 3.4 49.8 1.0 HE3 B:LYS108 3.5 47.6 1.0 HZ3 B:LYS108 3.5 49.8 1.0 C B:THR86 3.5 34.0 1.0 CE B:LYS108 3.6 39.6 1.0 CB B:LYS87 3.6 37.9 1.0 CG B:ASP58 3.6 30.4 1.0 CD B:LYS108 3.6 34.6 1.0 CA B:LYS87 3.7 34.0 1.0 O B:HOH828 3.8 34.1 1.0 OG1 B:THR86 3.8 34.0 1.0 CD B:LYS87 3.9 47.6 1.0 MG B:MG601 4.0 40.5 1.0 HG3 B:LYS87 4.0 49.3 1.0 CB B:THR86 4.1 36.1 1.0 H B:GLU59 4.1 40.0 1.0 OD2 B:ASP58 4.1 34.4 1.0 HD3 B:LYS108 4.2 41.5 1.0 H B:SER88 4.2 44.3 1.0 O B:ILE85 4.2 29.9 1.0 HB B:THR86 4.2 43.4 1.0 H B:ASN60 4.2 46.3 1.0 O B:HOH1026 4.3 43.9 1.0 HD2 B:LYS87 4.4 57.1 1.0 HA B:LYS87 4.4 40.8 1.0 HE2 B:LYS108 4.5 47.6 1.0 N B:THR86 4.5 28.2 1.0 HB3 B:ASN60 4.5 42.5 1.0 HG3 B:LYS108 4.5 40.2 1.0 HB2 B:LYS87 4.6 45.5 1.0 HD3 B:LYS87 4.6 57.1 1.0 NZ B:LYS87 4.6 61.3 1.0 OD2 B:ASP14 4.6 32.1 1.0 HZ1 B:LYS87 4.7 73.6 1.0 HA B:ASP58 4.7 34.5 1.0 O B:THR86 4.7 34.4 1.0 CG B:LYS108 4.7 33.5 1.0 N B:SER88 4.8 36.9 1.0 C B:LYS87 4.8 38.4 1.0 O B:HOH928 4.8 46.8 1.0 C B:ILE85 4.8 31.5 1.0 CB B:ASP58 4.9 31.0 1.0 N B:GLU59 4.9 33.4 1.0 HB2 B:LYS108 5.0 40.6 1.0 HB3 B:GLU59 5.0 42.5 1.0

Fluorine binding site 9 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ B:F602 b:32.6 occ:1.00 F3 B:BEF602 0.0 32.6 1.0 BE B:BEF602 1.5 28.9 1.0 HG1 B:THR86 1.9 40.8 1.0 H B:ASN60 2.3 46.3 1.0 F2 B:BEF602 2.3 32.5 1.0 OD1 B:ASP58 2.3 32.8 1.0 F1 B:BEF602 2.5 30.5 1.0 H B:GLU59 2.5 40.0 1.0 OG1 B:THR86 2.7 34.0 1.0 HB3 B:GLU59 2.8 42.5 1.0 O B:HOH1026 2.8 43.9 1.0 H B:LYS87 3.0 42.7 1.0 N B:ASN60 3.1 38.5 1.0 HG2 B:LYS87 3.1 49.3 1.0 HA B:THR86 3.2 42.4 1.0 HB3 B:ASN60 3.2 42.5 1.0 N B:GLU59 3.3 33.4 1.0 CG B:ASP58 3.4 30.4 1.0 HB B:THR86 3.4 43.4 1.0 CB B:THR86 3.5 36.1 1.0 CB B:GLU59 3.5 35.4 1.0 HB2 B:ASN60 3.7 42.5 1.0 N B:LYS87 3.7 35.6 1.0 CA B:GLU59 3.7 30.5 1.0 CA B:THR86 3.7 35.3 1.0 CB B:ASN60 3.8 35.4 1.0 H B:SER88 3.8 44.3 1.0 HB2 B:GLU59 3.8 42.5 1.0 C B:GLU59 3.9 32.5 1.0 HE3 B:LYS87 3.9 61.8 1.0 OD2 B:ASP58 4.0 34.4 1.0 CA B:ASN60 4.0 34.2 1.0 MG B:MG601 4.1 40.5 1.0 CG B:LYS87 4.1 41.0 1.0 HZ2 B:LYS108 4.1 49.8 1.0 HA B:ASP58 4.2 34.5 1.0 C B:THR86 4.3 34.0 1.0 O B:ASN60 4.3 33.5 1.0 OE1 B:GLU59 4.4 40.6 1.0 HG3 B:LYS87 4.4 49.3 1.0 C B:ASP58 4.4 30.8 1.0 HB2 B:SER88 4.5 54.3 1.0 N B:SER88 4.5 36.9 1.0 CB B:ASP58 4.5 31.0 1.0 O B:HOH1000 4.5 57.2 1.0 CA B:ASP58 4.6 28.8 1.0 C B:ASN60 4.6 33.4 1.0 HA B:GLU59 4.7 36.6 1.0 O B:ILE85 4.7 29.9 1.0 CE B:LYS87 4.7 51.5 1.0 CA B:LYS87 4.8 34.0 1.0 HA B:ASN60 4.8 41.0 1.0 CG B:GLU59 4.8 36.3 1.0 CG2 B:THR86 4.8 39.8 1.0 O B:HOH828 4.8 34.1 1.0 CD B:LYS87 4.9 47.6 1.0 CB B:LYS87 4.9 37.9 1.0 HE2 B:LYS87 4.9 61.8 1.0 NZ B:LYS108 4.9 41.5 1.0 HD2 B:LYS87 5.0 57.1 1.0

Fluorine binding site 10 out of 24 in the 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of 1.9 Angstrom Crystal Structure of Dimeric Porx, Co-Crystallized in the Presence of Zinc within 5.0Å range: probe atom residue distance (Å) B Occ B:F615 b:92.2 occ:1.00 F1 B:BEF615 0.0 92.2 1.0 BE B:BEF615 1.5 88.5 1.0 HO1 B:GOL608 2.0 126.3 1.0 HE2 B:HIS500 2.2 51.5 1.0 O1 B:GOL608 2.4 105.2 1.0 H B:THR272 2.5 44.3 1.0 F3 B:BEF615 2.6 84.6 1.0 F2 B:BEF615 2.6 89.4 1.0 OG1 B:THR272 2.8 45.5 1.0 NE2 B:HIS500 2.9 42.9 1.0 HG1 B:THR272 2.9 54.6 1.0 HB B:THR272 3.0 45.3 1.0 ZN B:ZN603 3.0 36.7 0.2 NE2 B:HIS416 3.2 40.8 1.0 CB B:THR272 3.3 37.7 1.0 N B:THR272 3.4 36.9 1.0 H11 B:GOL608 3.5 130.2 1.0 C1 B:GOL608 3.5 108.5 1.0 CE1 B:HIS500 3.5 39.6 1.0 HE1 B:HIS500 3.5 47.6 1.0 HA B:ALA271 3.7 36.6 1.0 HE1 B:HIS416 3.8 44.3 1.0 CE1 B:HIS416 3.8 36.9 1.0 CD2 B:HIS500 3.8 36.5 1.0 O B:HOH886 3.9 45.1 1.0 CA B:THR272 4.0 32.0 1.0 HB1 B:ALA271 4.1 42.2 1.0 HD2 B:HIS500 4.1 43.8 1.0 O2 B:GOL608 4.1 110.4 1.0 H12 B:GOL608 4.2 130.2 1.0 CD2 B:HIS416 4.3 35.9 1.0 CA B:ALA271 4.4 30.5 1.0 C B:ALA271 4.4 34.6 1.0 C2 B:GOL608 4.4 110.0 1.0 HO2 B:GOL608 4.4 132.5 1.0 OD2 B:ASP239 4.5 60.2 1.0 HA B:THR272 4.5 38.5 1.0 HD2 B:HIS416 4.5 43.1 1.0 ND1 B:HIS500 4.6 40.3 1.0 OD1 B:ASP239 4.6 64.2 1.0 CG2 B:THR272 4.7 42.7 1.0 HG21 B:THR272 4.7 51.3 1.0 CB B:ALA271 4.7 35.1 1.0 CG B:HIS500 4.8 35.7 1.0 H B:GLN273 4.8 42.6 1.0 H2 B:GOL608 4.9 132.0 1.0 ND1 B:HIS416 5.0 38.7 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