Fluorine in PDB 6g2s: Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside

The structure of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside, PDB code: 6g2s was solved by R.P.Jakob, W.Schoenemann, J.Cramer, T.Muehlethaler, P.Daetwyler, P.Zihlmann, B.Fiege, C.P.Sager, M.Smiesko, S.Rabbani, D.Eris, O.Schwardt, T.Maier, B.Ernst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.01 / 2.20
Space group	P 32
Cell size a, b, c (Å), α, β, γ (°)	86.010, 86.010, 203.140, 90.00, 90.00, 120.00
R / Rfree (%)	19.7 / 22.2

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 45;

Binding sites:

The binding sites of Fluorine atom in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside (pdb code 6g2s). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 45 binding sites of Fluorine where determined in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside, PDB code: 6g2s:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


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 Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:49.1 occ:1.00 FAH A:EJN301 0.0 49.1 1.0 CAH A:EJN301 1.3 46.5 1.0 CAI A:EJN301 2.3 47.5 1.0 CAG A:EJN301 2.4 47.5 1.0 FAI A:EJN301 2.7 47.8 1.0 HAC A:EJN301 2.8 55.3 1.0 CAD A:EJN301 2.8 46.7 1.0 CAC A:EJN301 3.0 46.1 1.0 CAJ A:EJN301 3.6 49.4 1.0 CAL A:EJN301 3.6 48.7 1.0 CAE A:EJN301 3.9 45.6 1.0 CAK A:EJN301 4.1 48.1 1.0 HD2 A:TYR48 4.1 40.3 1.0 CAB A:EJN301 4.2 45.9 1.0 HAE A:EJN301 4.3 54.8 1.0 CD2 A:TYR48 4.7 33.6 1.0 HAB A:EJN301 4.7 55.1 1.0 FAJ A:EJN301 4.7 53.2 1.0 FAL A:EJN301 4.7 49.5 1.0 HB2 A:TYR48 4.8 39.9 1.0 CAF A:EJN301 4.9 45.5 1.0 CAA A:EJN301 5.0 45.0 1.0

Fluorine binding site 2 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


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 Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:47.8 occ:1.00 FAI A:EJN301 0.0 47.8 1.0 CAI A:EJN301 1.3 47.5 1.0 CAH A:EJN301 2.4 46.5 1.0 CAJ A:EJN301 2.4 49.4 1.0 FAH A:EJN301 2.7 49.1 1.0 FAJ A:EJN301 2.7 53.2 1.0 HE2 A:TYR48 3.6 41.7 1.0 CAK A:EJN301 3.6 48.1 1.0 CAG A:EJN301 3.6 47.5 1.0 CE2 A:TYR48 4.0 34.7 1.0 CAL A:EJN301 4.1 48.7 1.0 HD2 A:TYR48 4.1 40.3 1.0 CD2 A:TYR48 4.3 33.6 1.0 FAK A:EJN301 4.7 50.5 1.0 CZ A:TYR48 4.8 35.3 1.0 HAC A:EJN301 4.9 55.3 1.0 CAD A:EJN301 4.9 46.7 1.0

Fluorine binding site 3 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:53.2 occ:1.00 FAJ A:EJN301 0.0 53.2 1.0 CAJ A:EJN301 1.3 49.4 1.0 CAK A:EJN301 2.4 48.1 1.0 CAI A:EJN301 2.4 47.5 1.0 FAK A:EJN301 2.7 50.5 1.0 FAI A:EJN301 2.7 47.8 1.0 CZ A:TYR48 3.4 35.3 1.0 CE2 A:TYR48 3.4 34.7 1.0 OH A:TYR48 3.5 39.9 1.0 HE2 A:TYR48 3.5 41.7 1.0 CAH A:EJN301 3.6 46.5 1.0 CAL A:EJN301 3.6 48.7 1.0 HH A:TYR48 3.8 47.9 1.0 CE1 A:TYR48 4.0 35.9 1.0 CD2 A:TYR48 4.1 33.6 1.0 CAG A:EJN301 4.1 47.5 1.0 HE1 A:TYR48 4.3 43.1 1.0 HD2 A:TYR48 4.5 40.3 1.0 CD1 A:TYR48 4.5 34.4 1.0 CG A:TYR48 4.6 34.6 1.0 FAH A:EJN301 4.7 49.1 1.0 FAL A:EJN301 4.7 49.5 1.0

Fluorine binding site 4 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:50.5 occ:1.00 FAK A:EJN301 0.0 50.5 1.0 CAK A:EJN301 1.3 48.1 1.0 CAJ A:EJN301 2.4 49.4 1.0 CAL A:EJN301 2.4 48.7 1.0 FAL A:EJN301 2.7 49.5 1.0 FAJ A:EJN301 2.7 53.2 1.0 HG1 A:THR51 3.2 52.8 1.0 CD1 A:TYR48 3.6 34.4 1.0 CE1 A:TYR48 3.6 35.9 1.0 CAI A:EJN301 3.6 47.5 1.0 CAG A:EJN301 3.6 47.5 1.0 HB A:THR51 3.7 52.9 1.0 HD1 A:TYR48 3.8 41.3 1.0 HE1 A:TYR48 3.8 43.1 1.0 OG1 A:THR51 3.9 44.0 1.0 CG A:TYR48 3.9 34.6 1.0 CZ A:TYR48 4.0 35.3 1.0 HG21 A:THR51 4.0 54.6 1.0 CAH A:EJN301 4.1 46.5 1.0 CB A:THR51 4.2 44.1 1.0 CD2 A:TYR48 4.3 33.6 1.0 CE2 A:TYR48 4.3 34.7 1.0 HB3 A:TYR48 4.4 39.9 1.0 CG2 A:THR51 4.6 45.5 1.0 CB A:TYR48 4.7 33.3 1.0 OH A:TYR48 4.7 39.9 1.0 FAI A:EJN301 4.7 47.8 1.0 HH A:TYR48 4.7 47.9 1.0 CAD A:EJN301 4.9 46.7 1.0 HD2 A:TYR48 4.9 40.3 1.0 HB2 A:TYR48 4.9 39.9 1.0 HE2 A:TYR48 4.9 41.7 1.0

Fluorine binding site 5 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:49.5 occ:1.00 FAL A:EJN301 0.0 49.5 1.0 CAL A:EJN301 1.3 48.7 1.0 CAK A:EJN301 2.3 48.1 1.0 CAG A:EJN301 2.4 47.5 1.0 HD11 A:ILE52 2.6 40.7 1.0 FAK A:EJN301 2.7 50.5 1.0 HAE A:EJN301 2.8 54.8 1.0 CAD A:EJN301 2.8 46.7 1.0 CAE A:EJN301 3.0 45.6 1.0 HD12 A:ILE52 3.1 40.7 1.0 CD1 A:ILE52 3.2 33.9 1.0 HB3 A:TYR48 3.3 39.9 1.0 HG13 A:ILE52 3.6 41.9 1.0 CAJ A:EJN301 3.6 49.4 1.0 CAH A:EJN301 3.6 46.5 1.0 HB A:THR51 3.7 52.9 1.0 HB2 A:TYR48 3.8 39.9 1.0 CB A:TYR48 3.9 33.3 1.0 CAC A:EJN301 3.9 46.1 1.0 CG1 A:ILE52 4.0 34.9 1.0 HD13 A:ILE52 4.0 40.7 1.0 CG A:TYR48 4.1 34.6 1.0 CAI A:EJN301 4.1 47.5 1.0 OH A:TYR137 4.1 50.6 1.0 CAF A:EJN301 4.2 45.5 1.0 CZ A:TYR137 4.2 50.2 1.0 HG21 A:THR51 4.2 54.6 1.0 HD1 A:TYR48 4.3 41.3 1.0 CD1 A:TYR48 4.3 34.4 1.0 HE1 A:TYR137 4.4 60.1 1.0 CE1 A:TYR137 4.4 50.1 1.0 HAC A:EJN301 4.4 55.3 1.0 HH A:TYR137 4.4 60.7 1.0 HG12 A:ILE52 4.4 41.9 1.0 CB A:THR51 4.6 44.1 1.0 HG1 A:THR51 4.7 52.8 1.0 CD2 A:TYR48 4.7 33.6 1.0 FAJ A:EJN301 4.7 53.2 1.0 HG22 A:THR51 4.7 54.6 1.0 CG2 A:THR51 4.7 45.5 1.0 FAH A:EJN301 4.7 49.1 1.0 HAF A:EJN301 4.7 54.6 1.0 CE2 A:TYR137 4.8 49.7 1.0 HD2 A:TYR48 4.9 40.3 1.0 CAB A:EJN301 4.9 45.9 1.0 CAA A:EJN301 5.0 45.0 1.0

Fluorine binding site 6 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:49.5 occ:1.00 FAH B:EJN301 0.0 49.5 1.0 CAH B:EJN301 1.3 48.0 1.0 CAI B:EJN301 2.3 47.5 1.0 CAG B:EJN301 2.4 46.6 1.0 HG21 D:ILE13 2.7 28.3 1.0 FAI B:EJN301 2.7 49.5 1.0 HAC B:EJN301 2.8 52.9 1.0 H21 D:EJN301 2.8 56.2 1.0 CAD B:EJN301 2.8 44.4 1.0 CAC B:EJN301 3.0 44.0 1.0 HG22 D:ILE13 3.1 28.3 1.0 O D:HOH451 3.1 49.3 1.0 CG2 D:ILE13 3.2 23.6 1.0 HG23 D:ILE13 3.2 28.3 1.0 CAJ B:EJN301 3.6 47.7 1.0 CAL B:EJN301 3.6 45.8 1.0 C2 D:EJN301 3.8 46.8 1.0 H1 D:EJN301 3.9 55.6 1.0 O1 D:EJN301 3.9 49.5 1.0 CAE B:EJN301 3.9 44.0 1.0 HD2 B:TYR48 4.0 36.2 1.0 C1 D:EJN301 4.1 46.4 1.0 CAK B:EJN301 4.1 46.6 1.0 CAB B:EJN301 4.2 43.8 1.0 HE2 D:PHE142 4.3 34.1 1.0 HAE B:EJN301 4.4 52.8 1.0 O2 D:EJN301 4.5 46.0 1.0 OD2 D:ASP140 4.6 40.7 1.0 CD2 B:TYR48 4.6 30.2 1.0 H22 D:EJN301 4.6 55.2 1.0 CB D:ILE13 4.6 26.1 1.0 HD13 D:ILE13 4.6 37.5 1.0 HZ D:PHE142 4.6 32.6 1.0 FAJ B:EJN301 4.7 52.6 1.0 HB2 B:TYR48 4.7 35.1 1.0 HAB B:EJN301 4.7 52.5 1.0 FAL B:EJN301 4.7 48.8 1.0 H31 D:EJN301 4.7 53.7 1.0 C3 D:EJN301 4.8 44.8 1.0 CAA D:EJN301 4.9 51.3 1.0 HB D:ILE13 4.9 31.3 1.0 CAF B:EJN301 4.9 44.0 1.0 HE2 B:TYR48 4.9 35.8 1.0 CE2 D:PHE142 5.0 28.4 1.0 CAA B:EJN301 5.0 43.0 1.0

Fluorine binding site 7 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:49.5 occ:1.00 FAI B:EJN301 0.0 49.5 1.0 CAI B:EJN301 1.3 47.5 1.0 CAH B:EJN301 2.4 48.0 1.0 CAJ B:EJN301 2.4 47.7 1.0 HZ D:PHE142 2.4 32.6 1.0 FAH B:EJN301 2.7 49.5 1.0 FAJ B:EJN301 2.7 52.6 1.0 CZ D:PHE142 3.0 27.2 1.0 HE2 D:PHE142 3.2 34.1 1.0 HG22 D:ILE13 3.3 28.3 1.0 CE2 D:PHE142 3.4 28.4 1.0 HE2 B:TYR48 3.5 35.8 1.0 CAK B:EJN301 3.6 46.6 1.0 CAG B:EJN301 3.6 46.6 1.0 HA2 D:GLY14 3.7 26.9 1.0 CE2 B:TYR48 3.9 29.9 1.0 HG23 D:ILE13 3.9 28.3 1.0 CG2 D:ILE13 4.0 23.6 1.0 H21 D:EJN301 4.0 56.2 1.0 CE1 D:PHE142 4.0 27.1 1.0 HA3 D:GLY14 4.1 26.9 1.0 CAL B:EJN301 4.1 45.8 1.0 HD2 B:TYR48 4.1 36.2 1.0 HG21 D:ILE13 4.1 28.3 1.0 CD2 B:TYR48 4.2 30.2 1.0 HE1 D:PHE142 4.2 32.5 1.0 CA D:GLY14 4.2 22.4 1.0 O D:HOH451 4.3 49.3 1.0 OD2 D:ASP140 4.4 40.7 1.0 HD23 F:LEU68 4.4 43.9 1.0 HD21 F:LEU68 4.4 43.9 1.0 N D:GLY14 4.5 20.6 1.0 CD2 D:PHE142 4.6 29.6 1.0 OD1 D:ASP140 4.6 43.8 1.0 H D:GLY14 4.6 24.8 1.0 CZ B:TYR48 4.6 33.0 1.0 O D:HOH455 4.7 41.1 1.0 CG D:ASP140 4.7 41.2 1.0 FAK B:EJN301 4.7 49.3 1.0 HAC B:EJN301 4.9 52.9 1.0 CAD B:EJN301 4.9 44.4 1.0 CD2 F:LEU68 4.9 36.5 1.0 C D:ILE13 4.9 20.2 1.0 OH B:TYR48 5.0 32.8 1.0 H22 D:EJN301 5.0 55.2 1.0

Fluorine binding site 8 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:52.6 occ:1.00 FAJ B:EJN301 0.0 52.6 1.0 CAJ B:EJN301 1.3 47.7 1.0 CAI B:EJN301 2.4 47.5 1.0 CAK B:EJN301 2.4 46.6 1.0 FAI B:EJN301 2.7 49.5 1.0 FAK B:EJN301 2.7 49.3 1.0 HB3 F:SER69 3.1 34.1 1.0 HD23 F:LEU68 3.2 43.9 1.0 CZ B:TYR48 3.3 33.0 1.0 CE2 B:TYR48 3.4 29.9 1.0 OH B:TYR48 3.4 32.8 1.0 HE2 B:TYR48 3.5 35.8 1.0 CAH B:EJN301 3.6 48.0 1.0 CAL B:EJN301 3.6 45.8 1.0 HD21 F:LEU68 3.7 43.9 1.0 HG F:LEU68 3.7 45.2 1.0 HH B:TYR48 3.8 39.3 1.0 HZ D:PHE142 3.8 32.6 1.0 CD2 F:LEU68 3.8 36.5 1.0 CE1 B:TYR48 3.9 31.6 1.0 O D:HOH455 4.0 41.1 1.0 CD2 B:TYR48 4.1 30.2 1.0 CB F:SER69 4.1 28.4 1.0 CAG B:EJN301 4.1 46.6 1.0 HE1 B:TYR48 4.2 37.9 1.0 CG F:LEU68 4.3 37.6 1.0 HB2 F:SER69 4.4 34.1 1.0 HA F:SER69 4.4 35.0 1.0 CD1 B:TYR48 4.4 31.7 1.0 CZ D:PHE142 4.5 27.2 1.0 HD2 B:TYR48 4.5 36.2 1.0 CG B:TYR48 4.5 32.3 1.0 HE1 D:PHE142 4.5 32.5 1.0 HB3 F:LEU68 4.6 42.0 1.0 HD22 F:LEU68 4.7 43.9 1.0 FAL B:EJN301 4.7 48.8 1.0 FAH B:EJN301 4.7 49.5 1.0 CA F:SER69 4.7 29.2 1.0 CE1 D:PHE142 4.9 27.1 1.0 HG F:SER69 4.9 39.0 1.0 N F:SER69 5.0 31.2 1.0 OG F:SER69 5.0 32.5 1.0

Fluorine binding site 9 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:49.3 occ:1.00 FAK B:EJN301 0.0 49.3 1.0 CAK B:EJN301 1.3 46.6 1.0 CAL B:EJN301 2.4 45.8 1.0 CAJ B:EJN301 2.4 47.7 1.0 HB3 F:SER69 2.6 34.1 1.0 FAL B:EJN301 2.7 48.8 1.0 FAJ B:EJN301 2.7 52.6 1.0 HB2 F:SER69 2.8 34.1 1.0 CB F:SER69 3.1 28.4 1.0 HB B:THR51 3.4 47.1 1.0 CD1 B:TYR48 3.5 31.7 1.0 CE1 B:TYR48 3.5 31.6 1.0 CAI B:EJN301 3.6 47.5 1.0 CAG B:EJN301 3.6 46.6 1.0 HD1 B:TYR48 3.6 38.0 1.0 HG F:SER69 3.7 39.0 1.0 HG21 B:THR51 3.7 48.0 1.0 HE1 B:TYR48 3.7 37.9 1.0 OG1 B:THR51 3.8 40.4 1.0 CG B:TYR48 3.9 32.3 1.0 OG F:SER69 4.0 32.5 1.0 CZ B:TYR48 4.0 33.0 1.0 CB B:THR51 4.0 39.2 1.0 CAH B:EJN301 4.1 48.0 1.0 HA F:SER69 4.2 35.0 1.0 CD2 B:TYR48 4.3 30.2 1.0 HB3 B:TYR48 4.3 35.1 1.0 CG2 B:THR51 4.3 40.0 1.0 CE2 B:TYR48 4.3 29.9 1.0 CA F:SER69 4.3 29.2 1.0 HG1 B:THR51 4.5 48.4 1.0 CB B:TYR48 4.6 29.3 1.0 OH B:TYR48 4.7 32.8 1.0 HH B:TYR48 4.7 39.3 1.0 FAI B:EJN301 4.7 49.5 1.0 HG22 B:THR51 4.8 48.0 1.0 HD2 B:TYR48 4.9 36.2 1.0 CAD B:EJN301 4.9 44.4 1.0 HB2 B:TYR48 4.9 35.1 1.0 HE2 B:TYR48 4.9 35.8 1.0 HAE B:EJN301 4.9 52.8 1.0

Fluorine binding site 10 out of 45 in the Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Crystal Structure of Fimh in Complex with A Pentaflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:48.8 occ:1.00 FAL B:EJN301 0.0 48.8 1.0 CAL B:EJN301 1.3 45.8 1.0 CAK B:EJN301 2.3 46.6 1.0 CAG B:EJN301 2.4 46.6 1.0 FAK B:EJN301 2.7 49.3 1.0 HD11 B:ILE52 2.7 38.9 1.0 HAE B:EJN301 2.7 52.8 1.0 CAD B:EJN301 2.8 44.4 1.0 HD12 B:ILE52 3.0 38.9 1.0 CAE B:EJN301 3.0 44.0 1.0 HB3 B:TYR48 3.1 35.1 1.0 CD1 B:ILE52 3.3 32.4 1.0 HG13 B:ILE52 3.3 38.4 1.0 HB B:THR51 3.5 47.1 1.0 CAJ B:EJN301 3.6 47.7 1.0 CAH B:EJN301 3.6 48.0 1.0 HB2 B:TYR48 3.6 35.1 1.0 CB B:TYR48 3.7 29.3 1.0 CG1 B:ILE52 3.8 32.0 1.0 CG B:TYR48 3.9 32.3 1.0 CAC B:EJN301 3.9 44.0 1.0 HG21 B:THR51 4.0 48.0 1.0 CAI B:EJN301 4.1 47.5 1.0 HD13 B:ILE52 4.1 38.9 1.0 HD1 B:TYR48 4.1 38.0 1.0 CAF B:EJN301 4.1 44.0 1.0 CD1 B:TYR48 4.2 31.7 1.0 CB B:THR51 4.3 39.2 1.0 HG12 B:ILE52 4.4 38.4 1.0 HAC B:EJN301 4.4 52.9 1.0 HG22 B:THR51 4.4 48.0 1.0 OH B:TYR137 4.4 47.0 1.0 CZ B:TYR137 4.4 47.0 1.0 CG2 B:THR51 4.5 40.0 1.0 CD2 B:TYR48 4.5 30.2 1.0 CE1 B:TYR137 4.6 46.5 1.0 HH B:TYR137 4.6 56.4 1.0 HE1 B:TYR137 4.6 55.9 1.0 HAF B:EJN301 4.7 52.8 1.0 FAJ B:EJN301 4.7 52.6 1.0 FAH B:EJN301 4.7 49.5 1.0 HD2 B:TYR48 4.8 36.2 1.0 CAB B:EJN301 4.9 43.8 1.0 HB B:ILE52 4.9 39.8 1.0 O B:TYR48 4.9 26.8 1.0 CE2 B:TYR137 4.9 47.0 1.0 CAA B:EJN301 4.9 43.0 1.0 OG1 B:THR51 5.0 40.4 1.0 CE1 B:TYR48 5.0 31.6 1.0

W.Schonemann, J.Cramer, T.Muhlethaler, B.Fiege, M.Silbermann, S.Rabbani, P.Datwyler, P.Zihlmann, R.P.Jakob, C.P.Sager, M.Smiesko, O.Schwardt, T.Maier, B.Ernst. Improvement of Aglycone Pi-Stacking Yields Nanomolar to Sub-Nanomolar Fimh Antagonists. Chemmedchem V. 14 749 2019.
ISSN: ESSN 1860-7187
PubMed: 30710416
DOI: 10.1002/CMDC.201900051