Fluorine in PDB 5owp: Crystal Structure of Glycopeptide "Gvtsafpdt*Rpap" in Complex with Scfv-SM3

The structure of Crystal Structure of Glycopeptide "Gvtsafpdt*Rpap" in Complex with Scfv-SM3, PDB code: 5owp was solved by I.A.Bermejo, I.S.Albuquerque, V.J.Somovilla, N.Martinez-Saez, J.Castro-Lopez, F.Garcia-Martin, H.Hinou, S.Nishimura, J.Jimenez-Barbero, J.L.Asensio, A.Avenoza, J.H.Busto, R.Hurtado-Guerrero, J.M.Peregrina, G.J.Bernardes, F.Corzana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	90.36 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.399, 68.151, 90.358, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 25.6

The binding sites of Fluorine atom in the Crystal Structure of Glycopeptide "Gvtsafpdt*Rpap" in Complex with Scfv-SM3 (pdb code 5owp). 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 Crystal Structure of Glycopeptide "Gvtsafpdt*Rpap" in Complex with Scfv-SM3, PDB code: 5owp:

Fluorine binding site 1 out of 1 in the Crystal Structure of Glycopeptide "Gvtsafpdt*Rpap" in Complex with Scfv-SM3


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 Glycopeptide "Gvtsafpdt*Rpap" in Complex with Scfv-SM3 within 5.0Å range: probe atom residue distance (Å) B Occ D:F3 b:41.6 occ:1.00 FGX D:4FB3 0.0 41.6 1.0 CGX D:4FB3 1.3 40.5 1.0 CDX D:4FB3 2.3 43.2 1.0 CBX D:4FB3 2.3 42.2 1.0 CA D:4FB3 2.9 42.9 1.0 C D:4FB3 3.0 44.2 1.0 N D:4FB3 3.1 44.8 1.0 N D:ASP4 3.3 41.2 1.0 O D:4FB3 3.4 45.1 1.0 CG H:TYR1041 3.5 33.7 1.0 CG H:GLN103 3.5 29.2 1.0 CD H:GLN103 3.6 29.9 1.0 CD2 H:TYR1041 3.6 35.6 1.0 CG2 D:THR5 3.6 61.8 1.0 CB H:TYR1041 3.7 31.4 1.0 NE2 H:GLN103 3.7 29.8 1.0 C D:ASP4 3.9 45.9 1.0 N D:THR5 4.0 51.5 1.0 CD1 H:TYR1041 4.1 35.5 1.0 OE1 H:GLN103 4.2 30.6 1.0 CZ2 H:TRP1105 4.2 28.6 1.0 O D:ASP4 4.2 39.9 1.0 CA D:ASP4 4.2 41.9 1.0 CE2 H:TYR1041 4.2 36.5 1.0 CH2 H:TRP1105 4.3 29.7 1.0 C D:ALA2 4.4 49.2 1.0 CA D:THR5 4.4 54.4 1.0 O D:HOH202 4.7 31.0 1.0 CE1 H:TYR1041 4.7 37.3 1.0 CB D:THR5 4.7 60.3 1.0 CZ H:TYR1041 4.8 37.5 1.0 CB H:GLN103 4.8 29.2 1.0 CB D:ALA2 5.0 53.0 1.0

V.J.Somovilla, I.A.Bermejo, I.S.Albuquerque, N.Martinez-Saez, J.Castro-Lopez, F.Garcia-Martin, I.Companon, H.Hinou, S.I.Nishimura, J.Jimenez-Barbero, J.L.Asensio, A.Avenoza, J.H.Busto, R.Hurtado-Guerrero, J.M.Peregrina, G.J.L.Bernardes, F.Corzana. The Use of Fluoroproline in MUC1 Antigen Enables Efficient Detection of Antibodies in Patients with Prostate Cancer. J. Am. Chem. Soc. V. 139 18255 2017.
ISSN: ESSN 1520-5126
PubMed: 29166012
DOI: 10.1021/JACS.7B09447