Fluorine in PDB 6wqe: Solution Structure of the Iwp-051-Bound H-Nox From Shewanella Woodyi in the Fe(II)Co Ligation State

The structure of Solution Structure of the Iwp-051-Bound H-Nox From Shewanella Woodyi in the Fe(II)Co Ligation State also contains other interesting chemical elements:

Iron

(Fe)

20 atoms

The binding sites of Fluorine atom in the Solution Structure of the Iwp-051-Bound H-Nox From Shewanella Woodyi in the Fe(II)Co Ligation State (pdb code 6wqe). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Solution Structure of the Iwp-051-Bound H-Nox From Shewanella Woodyi in the Fe(II)Co Ligation State, PDB code: 6wqe:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Solution Structure of the Iwp-051-Bound H-Nox From Shewanella Woodyi in the Fe(II)Co Ligation State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Solution Structure of the Iwp-051-Bound H-Nox From Shewanella Woodyi in the Fe(II)Co Ligation State within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:0.0 occ:1.00 F18 A:IWP501 0.0 0.0 1.0 C11 A:IWP501 1.3 0.0 1.0 H092 A:IWP501 2.4 0.0 1.0 C04 A:IWP501 2.4 0.0 1.0 C10 A:IWP501 2.4 0.0 1.0 H04 A:IWP501 2.6 0.0 1.0 C09 A:IWP501 2.8 0.0 1.0 OE1 A:GLU16 3.1 0.0 1.0 C03 A:IWP501 3.6 0.0 1.0 C02 A:IWP501 3.6 0.0 1.0 N22 A:IWP501 3.7 0.0 1.0 H091 A:IWP501 3.7 0.0 1.0 N24 A:IWP501 3.7 0.0 1.0 CD A:GLU16 4.1 0.0 1.0 C01 A:IWP501 4.1 0.0 1.0 H03 A:IWP501 4.5 0.0 1.0 H02 A:IWP501 4.5 0.0 1.0 OE2 A:GLU16 4.7 0.0 1.0 HG3 A:GLU16 4.9 0.0 1.0 HD11 A:LEU69 5.0 0.0 1.0 C15 A:IWP501 5.0 0.0 1.0

Fluorine binding site 2 out of 2 in the Solution Structure of the Iwp-051-Bound H-Nox From Shewanella Woodyi in the Fe(II)Co Ligation State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Solution Structure of the Iwp-051-Bound H-Nox From Shewanella Woodyi in the Fe(II)Co Ligation State within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:0.0 occ:1.00 F19 A:IWP501 0.0 0.0 1.0 C12 A:IWP501 1.3 0.0 1.0 C08 A:IWP501 2.4 0.0 1.0 C17 A:IWP501 2.4 0.0 1.0 OD2 A:ASP15 2.5 0.0 1.0 H08 A:IWP501 2.7 0.0 1.0 O25 A:IWP501 2.8 0.0 1.0 H25 A:IWP501 3.4 0.0 1.0 CG A:ASP15 3.5 0.0 1.0 N20 A:IWP501 3.6 0.0 1.0 N21 A:IWP501 3.6 0.0 1.0 OD1 A:ASP15 3.8 0.0 1.0 C16 A:IWP501 4.0 0.0 1.0 CB A:ASP15 4.9 0.0 1.0 HB3 A:ASP15 5.0 0.0 1.0

C.Y.Chen, W.Lee, P.A.Renhowe, J.Jung, W.R.Montfort. Solution Structures of the Shewanella Woodyi H-Nox Protein in the Presence and Absence of Soluble Guanylyl Cyclase Stimulator Iwp-051. Protein Sci. 2020.
ISSN: ESSN 1469-896X
PubMed: 33236796
DOI: 10.1002/PRO.4005