Fluorine in PDB 7xww: Crystal Structure of Ntr in Complex with Bn-Xb

All present enzymatic activity of Crystal Structure of Ntr in Complex with Bn-Xb:
1.5.1.34;

The structure of Crystal Structure of Ntr in Complex with Bn-Xb, PDB code: 7xww was solved by X.Chen, J.Chen, J.L.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.26 / 2.80
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.87, 61.669, 88.332, 96.64, 100.83, 110.72
R / Rfree (%)	28.6 / 37.9

The binding sites of Fluorine atom in the Crystal Structure of Ntr in Complex with Bn-Xb (pdb code 7xww). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Ntr in Complex with Bn-Xb, PDB code: 7xww:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Ntr in Complex with Bn-Xb


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Ntr in Complex with Bn-Xb within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:128.8 occ:1.00 F01 A:I5O301 0.0 128.8 1.0 B15 A:I5O301 1.7 130.6 1.0 N14 A:I5O301 2.5 130.2 1.0 N16 A:I5O301 2.5 126.2 1.0 F02 A:I5O301 2.8 132.6 1.0 C05 A:I5O301 3.0 118.6 1.0 C03 A:I5O301 3.0 122.3 1.0 C09 A:I5O301 3.0 125.7 1.0 C10 A:I5O301 3.0 119.9 1.0 CD2 B:PHE199 3.4 109.7 1.0 C13 A:I5O301 3.7 125.2 1.0 C17 A:I5O301 3.7 119.3 1.0 CE2 B:PHE199 3.9 111.7 1.0 C18 A:I5O301 4.2 119.3 1.0 C08 A:I5O301 4.3 122.4 1.0 C11 A:I5O301 4.3 113.1 1.0 CG B:PHE199 4.4 109.0 1.0 C07 A:I5O301 4.6 123.2 1.0 C12 A:I5O301 4.6 109.5 1.0 CB B:PHE199 4.6 97.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Ntr in Complex with Bn-Xb


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Ntr in Complex with Bn-Xb within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:132.6 occ:1.00 F02 A:I5O301 0.0 132.6 1.0 B15 A:I5O301 1.7 130.6 1.0 N14 A:I5O301 2.6 130.2 1.0 N16 A:I5O301 2.6 126.2 1.0 F01 A:I5O301 2.8 128.8 1.0 C10 A:I5O301 3.4 119.9 1.0 C13 A:I5O301 3.4 125.2 1.0 C09 A:I5O301 3.4 125.7 1.0 C17 A:I5O301 3.4 119.3 1.0 C18 A:I5O301 3.6 119.3 1.0 C05 A:I5O301 3.8 118.6 1.0 C03 A:I5O301 3.8 122.3 1.0 C29 A:I5O301 4.3 111.4 1.0 C11 A:I5O301 4.5 113.1 1.0 C08 A:I5O301 4.5 122.4 1.0 C07 A:I5O301 4.5 123.2 1.0 C12 A:I5O301 4.5 109.5 1.0 C28 A:I5O301 4.7 103.4 1.0

X.Chen, J.Chen, J.L.Li. Crystal Structure of Ntr in Complex with Bn-Xb To Be Published.