Fluorine in PDB 6mvz: Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A.

The structure of Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A., PDB code: 6mvz was solved by A.J.Cameron, P.W.R.Harris, M.A.Brimble, C.J.Squire, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.44 / 0.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	8.255, 19.173, 23.446, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Fluorine atom in the Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A. (pdb code 6mvz). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A., PDB code: 6mvz:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A. within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:5.6 occ:1.00 F1 A:TFA2001 0.0 5.6 1.0 C2 A:TFA2001 1.3 4.3 1.0 F3 A:TFA2001 2.1 6.2 1.0 F2 A:TFA2001 2.2 5.7 1.0 C1 A:TFA2001 2.4 3.9 1.0 OXT A:TFA2001 2.7 4.3 1.0 O A:TFA2001 3.5 4.6 1.0 O A:HOH3001 3.6 4.5 1.0

Fluorine binding site 2 out of 3 in the Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A. within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:5.7 occ:1.00 F2 A:TFA2001 0.0 5.7 1.0 C2 A:TFA2001 1.3 4.3 1.0 F3 A:TFA2001 2.2 6.2 1.0 F1 A:TFA2001 2.2 5.6 1.0 C1 A:TFA2001 2.4 3.9 1.0 O A:TFA2001 2.8 4.6 1.0 OXT A:TFA2001 3.4 4.3 1.0 OXT A:PHE1004 3.6 4.7 1.0 C A:PHE1004 4.6 3.8 1.0 O A:PHE1004 5.0 4.2 1.0

Fluorine binding site 3 out of 3 in the Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Mle-Phe-Mle-Phe. Linear Precursor of Pseudoxylallemycin A. within 5.0Å range: probe atom residue distance (Å) B Occ A:F2001 b:6.2 occ:1.00 F3 A:TFA2001 0.0 6.2 1.0 C2 A:TFA2001 1.3 4.3 1.0 F1 A:TFA2001 2.1 5.6 1.0 F2 A:TFA2001 2.2 5.7 1.0 C1 A:TFA2001 2.4 3.9 1.0 O A:TFA2001 2.9 4.6 1.0 OXT A:TFA2001 3.2 4.3 1.0 OXT A:PHE1004 3.5 4.7 1.0 C A:PHE1004 3.9 3.8 1.0 O A:PHE1004 3.9 4.2 1.0 O A:HOH3001 4.5 4.5 1.0 CB A:PHE1004 4.6 4.1 1.0 CA A:PHE1004 4.9 3.7 1.0

A.J.Cameron, C.J.Squire, A.Gerenton, L.A.Stubbing, P.W.R.Harris, M.A.Brimble. Investigations of the Key Macrolactamisation Step in the Synthesis of Cyclic Tetrapeptide Pseudoxylallemycin A. Org.Biomol.Chem. V. 17 3902 2019.
ISSN: ESSN 1477-0539
PubMed: 30941386
DOI: 10.1039/C9OB00227H