Fluorine in PDB 4wmv: Structure of Mbp-MCL1 Bound to Ligand 4 at 2.4A

The structure of Structure of Mbp-MCL1 Bound to Ligand 4 at 2.4A, PDB code: 4wmv was solved by M.C.Clifton, A.Moulin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.40
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	98.890, 136.070, 37.820, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 25.3

The structure of Structure of Mbp-MCL1 Bound to Ligand 4 at 2.4A also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	2 atoms

The binding sites of Fluorine atom in the Structure of Mbp-MCL1 Bound to Ligand 4 at 2.4A (pdb code 4wmv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Structure of Mbp-MCL1 Bound to Ligand 4 at 2.4A, PDB code: 4wmv:

Fluorine binding site 1 out of 1 in the Structure of Mbp-MCL1 Bound to Ligand 4 at 2.4A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Mbp-MCL1 Bound to Ligand 4 at 2.4A within 5.0Å range: probe atom residue distance (Å) B Occ A:F404 b:50.8 occ:1.00 F09 A:3R4404 0.0 50.8 1.0 C08 A:3R4404 1.3 62.6 1.0 C07 A:3R4404 2.4 49.2 1.0 C10 A:3R4404 2.4 59.0 1.0 CB A:MET231 3.1 23.6 1.0 O A:ALA227 3.4 24.7 1.0 CD1 A:PHE228 3.4 19.9 1.0 CG A:MET231 3.6 48.6 1.0 C06 A:3R4404 3.6 56.9 1.0 C11 A:3R4404 3.6 45.1 1.0 CE A:MET231 3.8 73.9 1.0 C A:ALA227 3.8 46.9 1.0 CE1 A:PHE228 3.9 19.4 1.0 CA A:PHE228 4.0 27.5 1.0 N A:PHE228 4.1 21.9 1.0 C12 A:3R4404 4.1 55.1 1.0 CD1 A:PHE270 4.3 37.6 1.0 CB A:ALA227 4.4 26.1 1.0 CA A:MET231 4.5 32.5 1.0 CE1 A:PHE270 4.5 40.2 1.0 CG A:PHE228 4.6 19.3 1.0 SD A:MET231 4.6 70.1 1.0 CA A:ALA227 4.7 29.1 1.0 N A:MET231 4.8 28.6 1.0 CG A:PHE270 4.9 22.1 1.0 CB A:PHE228 4.9 23.7 1.0 C A:PHE228 5.0 29.9 1.0

M.C.Clifton, D.M.Dranow, A.Leed, B.Fulroth, J.W.Fairman, J.Abendroth, K.A.Atkins, E.Wallace, D.Fan, G.Xu, Z.J.Ni, D.Daniels, J.Van Drie, G.Wei, A.B.Burgin, T.R.Golub, B.K.Hubbard, M.H.Serrano-Wu. A Maltose-Binding Protein Fusion Construct Yields A Robust Crystallography Platform For MCL1. Plos One V. 10 25010 2015.
ISSN: ESSN 1932-6203
PubMed: 25909780
DOI: 10.1371/JOURNAL.PONE.0125010