Fluorine in PDB 6g2r: Crystal Structure of Fimh in Complex with A Tetraflourinated Biphenyl Alpha D-Mannoside

The structure of Crystal Structure of Fimh in Complex with A Tetraflourinated Biphenyl Alpha D-Mannoside, PDB code: 6g2r 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)	52.97 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.115, 60.800, 105.938, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 22.2

The structure of Crystal Structure of Fimh in Complex with A Tetraflourinated Biphenyl Alpha D-Mannoside also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Fluorine atom in the Crystal Structure of Fimh in Complex with A Tetraflourinated Biphenyl Alpha D-Mannoside (pdb code 6g2r). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 8 binding sites of Fluorine where determined in the Crystal Structure of Fimh in Complex with A Tetraflourinated Biphenyl Alpha D-Mannoside, PDB code: 6g2r:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Fluorine binding site 1 out of 8 in the Crystal Structure of Fimh in Complex with A Tetraflourinated 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 Tetraflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:38.7 occ:1.00 FAH A:EJK301 0.0 38.7 1.0 CAH A:EJK301 1.2 42.6 1.0 HAC A:EJK301 2.2 56.6 1.0 H61 A:EPE303 2.2 33.7 1.0 CAI A:EJK301 2.3 42.8 1.0 CAG A:EJK301 2.3 45.4 1.0 H21 A:EPE303 2.6 36.6 1.0 FAI A:EJK301 2.6 42.1 1.0 CAC A:EJK301 2.7 47.2 1.0 CAD A:EJK301 2.8 46.8 1.0 H101 A:EPE303 3.2 48.6 1.0 CAC B:EJK301 3.2 37.7 1.0 C6 A:EPE303 3.3 28.1 1.0 FAH B:EJK301 3.4 38.6 1.0 CAB B:EJK301 3.5 35.7 1.0 HAC B:EJK301 3.5 45.2 1.0 CAJ A:EJK301 3.5 44.1 1.0 CAL A:EJK301 3.5 45.6 1.0 C2 A:EPE303 3.6 30.5 1.0 H51 A:EPE303 3.7 35.6 1.0 CAD B:EJK301 3.7 39.6 1.0 HD1 A:TYR48 3.8 45.5 1.0 HAB B:EJK301 3.8 42.8 1.0 N1 A:EPE303 3.8 26.2 1.0 C5 A:EPE303 3.9 29.7 1.0 CD1 A:TYR48 4.0 38.0 1.0 CAA B:EJK301 4.0 34.1 1.0 H62 A:EPE303 4.0 33.7 1.0 CAK A:EJK301 4.0 43.1 1.0 CAB A:EJK301 4.0 46.5 1.0 C10 A:EPE303 4.0 40.5 1.0 CAE A:EJK301 4.1 46.6 1.0 HB2 A:TYR48 4.1 40.0 1.0 CAE B:EJK301 4.1 37.5 1.0 H102 A:EPE303 4.2 48.6 1.0 N4 A:EPE303 4.2 26.5 1.0 CAH B:EJK301 4.2 41.8 1.0 CAF B:EJK301 4.2 33.4 1.0 CAG B:EJK301 4.3 43.3 1.0 C9 A:EPE303 4.3 28.4 1.0 C3 A:EPE303 4.3 31.1 1.0 H22 A:EPE303 4.3 36.6 1.0 H92 A:EPE303 4.3 34.0 1.0 CE1 A:TYR48 4.3 39.3 1.0 HE1 A:TYR48 4.4 47.1 1.0 CG A:TYR48 4.4 35.1 1.0 H31 A:EPE303 4.5 37.2 1.0 HAB A:EJK301 4.5 55.7 1.0 H1 B:EJK301 4.6 31.2 1.0 HAE A:EJK301 4.6 55.8 1.0 CBE A:EJK301 4.7 43.2 1.0 FAL A:EJK301 4.7 44.8 1.0 CB A:TYR48 4.8 33.4 1.0 O1 B:EJK301 4.8 30.2 1.0 HD13 B:ILE13 4.8 37.3 1.0 HAE B:EJK301 4.8 44.9 1.0 H52 A:EPE303 4.9 35.6 1.0 CAA A:EJK301 5.0 46.1 1.0 CAF A:EJK301 5.0 43.1 1.0

Fluorine binding site 2 out of 8 in the Crystal Structure of Fimh in Complex with A Tetraflourinated 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 Tetraflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:42.1 occ:1.00 FAI A:EJK301 0.0 42.1 1.0 CAI A:EJK301 1.4 42.8 1.0 CAJ A:EJK301 2.4 44.1 1.0 CAH A:EJK301 2.4 42.6 1.0 FAH A:EJK301 2.6 38.7 1.0 H1 B:EJK301 2.7 31.2 1.0 CBE A:EJK301 2.8 43.2 1.0 HD13 B:ILE13 2.8 37.3 1.0 H101 A:EPE303 3.0 48.6 1.0 HG21 B:ILE13 3.0 35.7 1.0 H61 A:EPE303 3.1 33.7 1.0 HE1 A:TYR48 3.4 47.1 1.0 HAB B:EJK301 3.5 42.8 1.0 H102 A:EPE303 3.5 48.6 1.0 NBF A:EJK301 3.5 43.5 1.0 O1 B:EJK301 3.5 30.2 1.0 C1 B:EJK301 3.5 26.0 1.0 CAA B:EJK301 3.5 34.1 1.0 CAB B:EJK301 3.5 35.7 1.0 CAK A:EJK301 3.6 43.1 1.0 CAG A:EJK301 3.7 45.4 1.0 CE1 A:TYR48 3.7 39.3 1.0 C10 A:EPE303 3.7 40.5 1.0 CD1 B:ILE13 3.8 31.1 1.0 CG2 B:ILE13 4.0 29.8 1.0 H62 A:EPE303 4.0 33.7 1.0 C6 A:EPE303 4.0 28.1 1.0 H21 B:EJK301 4.1 27.0 1.0 CAL A:EJK301 4.1 45.6 1.0 HD11 B:ILE13 4.1 37.3 1.0 HG23 B:ILE13 4.2 35.7 1.0 HD12 B:ILE13 4.2 37.3 1.0 HH A:TYR48 4.2 52.6 1.0 CD1 A:TYR48 4.2 38.0 1.0 HD1 A:TYR48 4.2 45.5 1.0 CAF B:EJK301 4.3 33.4 1.0 CAC B:EJK301 4.3 37.7 1.0 CZ A:TYR48 4.3 42.2 1.0 C2 B:EJK301 4.4 22.6 1.0 HG22 B:ILE13 4.5 35.7 1.0 HG12 B:ILE13 4.5 34.6 1.0 OH A:TYR48 4.6 43.9 1.0 O5 B:EJK301 4.6 22.6 1.0 CG1 B:ILE13 4.6 28.9 1.0 H21 A:EPE303 4.6 36.6 1.0 HAC A:EJK301 4.6 56.6 1.0 H51 A:EPE303 4.7 35.6 1.0 O1S A:EPE303 4.7 45.1 1.0 FAK A:EJK301 4.7 42.4 1.0 HAC B:EJK301 4.8 45.2 1.0 CB B:ILE13 4.8 28.2 1.0 C9 A:EPE303 4.8 28.4 1.0 CAD A:EJK301 4.8 46.8 1.0 N1 A:EPE303 4.9 26.2 1.0 HB B:ILE13 4.9 33.8 1.0 CAE B:EJK301 4.9 37.5 1.0 S A:EPE303 5.0 48.8 1.0 O2 B:EJK301 5.0 24.7 1.0 C5 A:EPE303 5.0 29.7 1.0

Fluorine binding site 3 out of 8 in the Crystal Structure of Fimh in Complex with A Tetraflourinated 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 Tetraflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:42.4 occ:1.00 FAK A:EJK301 0.0 42.4 1.0 CAK A:EJK301 1.4 43.1 1.0 CAJ A:EJK301 2.4 44.1 1.0 CAL A:EJK301 2.4 45.6 1.0 FAL A:EJK301 2.6 44.8 1.0 CBE A:EJK301 2.8 43.2 1.0 O A:HOH435 3.2 37.0 1.0 NBF A:EJK301 3.5 43.5 1.0 HE2 A:TYR48 3.5 45.6 1.0 CAI A:EJK301 3.6 42.8 1.0 CAG A:EJK301 3.7 45.4 1.0 CE2 A:TYR48 3.7 38.0 1.0 O B:HOH426 3.8 46.9 1.0 CL1 B:EJK301 3.8 33.3 1.0 OH A:TYR48 3.9 43.9 1.0 CZ A:TYR48 3.9 42.2 1.0 CAH A:EJK301 4.1 42.6 1.0 HH A:TYR48 4.4 52.6 1.0 OH A:TYR137 4.4 44.4 1.0 CD2 A:TYR48 4.4 37.1 1.0 HAE A:EJK301 4.5 55.8 1.0 CAF B:EJK301 4.5 33.4 1.0 HD22 B:ASN138 4.5 32.6 1.0 HH A:TYR137 4.6 53.2 1.0 HG1 A:THR51 4.7 57.9 1.0 HD2 A:TYR48 4.7 44.4 1.0 HD21 B:ASN138 4.7 32.6 1.0 FAI A:EJK301 4.7 42.1 1.0 CE1 A:TYR48 4.8 39.3 1.0 CAD A:EJK301 4.8 46.8 1.0 HG21 A:THR51 4.8 54.5 1.0 ND2 B:ASN138 5.0 27.2 1.0

Fluorine binding site 4 out of 8 in the Crystal Structure of Fimh in Complex with A Tetraflourinated 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 Tetraflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:44.8 occ:1.00 FAL A:EJK301 0.0 44.8 1.0 CAL A:EJK301 1.3 45.6 1.0 HAE A:EJK301 2.1 55.8 1.0 CAK A:EJK301 2.3 43.1 1.0 CAG A:EJK301 2.4 45.4 1.0 FAK A:EJK301 2.6 42.4 1.0 CAE A:EJK301 2.7 46.6 1.0 CAD A:EJK301 2.8 46.8 1.0 OH A:TYR137 3.3 44.4 1.0 HH A:TYR137 3.3 53.2 1.0 HD11 A:ILE52 3.3 35.0 1.0 CZ A:TYR137 3.6 41.3 1.0 CAJ A:EJK301 3.6 44.1 1.0 CAH A:EJK301 3.6 42.6 1.0 HD2 A:TYR48 3.9 44.4 1.0 CAF A:EJK301 3.9 43.1 1.0 CD2 A:TYR48 4.0 37.1 1.0 CE2 A:TYR137 4.0 40.0 1.0 HE2 A:TYR137 4.0 48.0 1.0 HAE B:EJK301 4.0 44.9 1.0 CAI A:EJK301 4.1 42.8 1.0 CE2 A:TYR48 4.1 38.0 1.0 CAC A:EJK301 4.2 47.2 1.0 HE2 A:TYR48 4.2 45.6 1.0 CD1 A:ILE52 4.2 29.2 1.0 CE1 A:TYR137 4.2 42.5 1.0 HD12 A:ILE52 4.2 35.0 1.0 HE1 A:TYR137 4.3 50.9 1.0 CAE B:EJK301 4.4 37.5 1.0 O B:HOH426 4.4 46.9 1.0 CL1 B:EJK301 4.4 33.3 1.0 CG A:TYR48 4.5 35.1 1.0 HG13 A:ILE52 4.5 35.1 1.0 CAF B:EJK301 4.6 33.4 1.0 CL1 A:EJK301 4.6 42.5 1.0 HG21 A:THR51 4.7 54.5 1.0 FAH A:EJK301 4.7 38.7 1.0 HAC A:EJK301 4.7 56.6 1.0 CBE A:EJK301 4.7 43.2 1.0 HB3 A:TYR48 4.8 40.0 1.0 HB A:THR51 4.8 55.2 1.0 CZ A:TYR48 4.8 42.2 1.0 HD13 A:ILE52 4.8 35.0 1.0 CG1 A:ILE52 4.9 29.3 1.0 CD2 A:TYR137 4.9 38.1 1.0 CAA A:EJK301 4.9 46.1 1.0

Fluorine binding site 5 out of 8 in the Crystal Structure of Fimh in Complex with A Tetraflourinated 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 Tetraflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:38.6 occ:1.00 FAH B:EJK301 0.0 38.6 1.0 CAH B:EJK301 1.3 41.8 1.0 HAC B:EJK301 2.2 45.2 1.0 CAI B:EJK301 2.3 45.4 1.0 CAG B:EJK301 2.4 43.3 1.0 H81 A:EPE303 2.4 38.1 1.0 FAI B:EJK301 2.7 43.8 1.0 CAC B:EJK301 2.7 37.7 1.0 CAD B:EJK301 2.9 39.6 1.0 N4 A:EPE303 2.9 26.5 1.0 H31 A:EPE303 3.1 37.2 1.0 C8 A:EPE303 3.2 31.8 1.0 H51 A:EPE303 3.3 35.6 1.0 CAC A:EJK301 3.3 47.2 1.0 FAH A:EJK301 3.4 38.7 1.0 H82 A:EPE303 3.4 38.1 1.0 C7 A:EPE303 3.4 29.2 1.0 HAC A:EJK301 3.4 56.6 1.0 C3 A:EPE303 3.5 31.1 1.0 H21 A:EPE303 3.5 36.6 1.0 H71 A:EPE303 3.5 35.0 1.0 CAB A:EJK301 3.6 46.5 1.0 C5 A:EPE303 3.6 29.7 1.0 CAJ B:EJK301 3.6 50.9 1.0 CAL B:EJK301 3.7 46.3 1.0 HAB A:EJK301 3.8 55.7 1.0 HD1 B:TYR48 3.8 38.9 1.0 CAD A:EJK301 3.9 46.8 1.0 H61 A:EPE303 3.9 33.7 1.0 CD1 B:TYR48 3.9 32.5 1.0 CAB B:EJK301 4.0 35.7 1.0 C2 A:EPE303 4.0 30.5 1.0 CE1 B:TYR48 4.0 32.3 1.0 HE1 B:TYR48 4.1 38.7 1.0 CAK B:EJK301 4.1 49.7 1.0 CAE B:EJK301 4.1 37.5 1.0 CAA A:EJK301 4.2 46.1 1.0 CAH A:EJK301 4.2 42.6 1.0 C6 A:EPE303 4.3 28.1 1.0 CAE A:EJK301 4.3 46.6 1.0 CAG A:EJK301 4.4 45.4 1.0 H72 A:EPE303 4.4 35.0 1.0 O8 A:EPE303 4.4 31.4 1.0 H32 A:EPE303 4.4 37.2 1.0 HAB B:EJK301 4.5 42.8 1.0 HB2 B:TYR48 4.5 32.7 1.0 CAF A:EJK301 4.5 43.1 1.0 CG B:TYR48 4.5 28.6 1.0 H52 A:EPE303 4.5 35.6 1.0 HAE B:EJK301 4.6 44.9 1.0 H1 A:EJK301 4.7 45.0 1.0 CZ B:TYR48 4.7 34.5 1.0 HD13 A:ILE13 4.7 38.8 1.0 CBE B:EJK301 4.8 54.5 1.0 N1 A:EPE303 4.8 26.2 1.0 FAL B:EJK301 4.8 45.3 1.0 H22 A:EPE303 4.9 36.6 1.0 HO8 A:EPE303 4.9 37.6 1.0 O1 A:EJK301 5.0 41.7 1.0 CAA B:EJK301 5.0 34.1 1.0

Fluorine binding site 6 out of 8 in the Crystal Structure of Fimh in Complex with A Tetraflourinated 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 Tetraflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:43.8 occ:1.00 FAI B:EJK301 0.0 43.8 1.0 CAI B:EJK301 1.3 45.4 1.0 CAH B:EJK301 2.4 41.8 1.0 CAJ B:EJK301 2.4 50.9 1.0 H81 A:EPE303 2.5 38.1 1.0 FAH B:EJK301 2.7 38.6 1.0 HD13 A:ILE13 2.7 38.8 1.0 CBE B:EJK301 2.8 54.5 1.0 H1 A:EJK301 2.8 45.0 1.0 H82 A:EPE303 3.0 38.1 1.0 C8 A:EPE303 3.2 31.8 1.0 HG21 A:ILE13 3.2 36.0 1.0 HE1 B:TYR48 3.4 38.7 1.0 NBF B:EJK301 3.5 56.2 1.0 HAB A:EJK301 3.5 55.7 1.0 CAK B:EJK301 3.6 49.7 1.0 CAB A:EJK301 3.6 46.5 1.0 CAG B:EJK301 3.6 43.3 1.0 CD1 A:ILE13 3.6 32.4 1.0 H31 A:EPE303 3.7 37.2 1.0 CAA A:EJK301 3.7 46.1 1.0 C1 A:EJK301 3.7 37.5 1.0 O1 A:EJK301 3.7 41.7 1.0 CE1 B:TYR48 3.8 32.3 1.0 HD11 A:ILE13 4.0 38.8 1.0 HD12 A:ILE13 4.0 38.8 1.0 O8 A:EPE303 4.0 31.4 1.0 OH B:TYR48 4.1 35.3 1.0 CAL B:EJK301 4.1 46.3 1.0 CZ B:TYR48 4.1 34.5 1.0 CG2 A:ILE13 4.2 30.1 1.0 H21 A:EJK301 4.3 38.5 1.0 CAC A:EJK301 4.3 47.2 1.0 C7 A:EPE303 4.4 29.2 1.0 HG23 A:ILE13 4.4 36.0 1.0 CAF A:EJK301 4.4 43.1 1.0 N4 A:EPE303 4.5 26.5 1.0 CD1 B:TYR48 4.5 32.5 1.0 C3 A:EPE303 4.6 31.1 1.0 HG12 A:ILE13 4.6 36.2 1.0 C2 A:EJK301 4.6 32.1 1.0 CG1 A:ILE13 4.6 30.2 1.0 H22 A:EJK301 4.6 36.9 1.0 HH B:TYR48 4.6 42.3 1.0 HAC B:EJK301 4.6 45.2 1.0 HD1 B:TYR48 4.7 38.9 1.0 O5 A:EJK301 4.7 34.1 1.0 FAK B:EJK301 4.7 51.2 1.0 HG22 A:ILE13 4.7 36.0 1.0 HAC A:EJK301 4.8 56.6 1.0 H71 A:EPE303 4.8 35.0 1.0 CAD B:EJK301 4.8 39.6 1.0 CB A:ILE13 4.9 30.1 1.0 HO8 A:EPE303 4.9 37.6 1.0 HB A:ILE13 5.0 36.1 1.0

Fluorine binding site 7 out of 8 in the Crystal Structure of Fimh in Complex with A Tetraflourinated 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 Tetraflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:51.2 occ:1.00 FAK B:EJK301 0.0 51.2 1.0 CAK B:EJK301 1.4 49.7 1.0 CAL B:EJK301 2.4 46.3 1.0 CAJ B:EJK301 2.4 50.9 1.0 FAL B:EJK301 2.7 45.3 1.0 CBE B:EJK301 2.8 54.5 1.0 O B:HOH463 3.3 46.1 1.0 NBF B:EJK301 3.5 56.2 1.0 HH B:TYR48 3.5 42.3 1.0 HE2 B:TYR48 3.6 36.2 1.0 CAI B:EJK301 3.6 45.4 1.0 CAG B:EJK301 3.7 43.3 1.0 OH B:TYR48 3.9 35.3 1.0 CE2 B:TYR48 3.9 30.2 1.0 OH B:TYR137 4.0 40.4 1.0 CL1 A:EJK301 4.0 42.5 1.0 HH B:TYR137 4.1 48.4 1.0 CZ B:TYR48 4.1 34.5 1.0 CAH B:EJK301 4.1 41.8 1.0 HAE B:EJK301 4.5 44.9 1.0 CAF A:EJK301 4.6 43.1 1.0 HG1 B:THR51 4.7 47.5 1.0 HG21 B:THR51 4.7 44.1 1.0 FAI B:EJK301 4.7 43.8 1.0 CD2 B:TYR48 4.8 30.1 1.0 CZ B:TYR137 4.8 38.2 1.0 CAD B:EJK301 4.8 39.6 1.0 HD22 A:ASN138 4.9 39.2 1.0 HE1 B:TYR137 5.0 43.3 1.0

Fluorine binding site 8 out of 8 in the Crystal Structure of Fimh in Complex with A Tetraflourinated 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 Tetraflourinated Biphenyl Alpha D-Mannoside within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:45.3 occ:1.00 FAL B:EJK301 0.0 45.3 1.0 CAL B:EJK301 1.4 46.3 1.0 HAE B:EJK301 2.1 44.9 1.0 CAK B:EJK301 2.3 49.7 1.0 CAG B:EJK301 2.4 43.3 1.0 FAK B:EJK301 2.7 51.2 1.0 CAE B:EJK301 2.7 37.5 1.0 CAD B:EJK301 2.8 39.6 1.0 HH B:TYR137 3.1 48.4 1.0 OH B:TYR137 3.1 40.4 1.0 HD11 B:ILE52 3.2 35.5 1.0 CZ B:TYR137 3.4 38.2 1.0 CAJ B:EJK301 3.6 50.9 1.0 HE2 B:TYR137 3.6 43.3 1.0 CE2 B:TYR137 3.7 36.1 1.0 CAH B:EJK301 3.7 41.8 1.0 HE2 B:TYR48 3.9 36.2 1.0 CAF B:EJK301 3.9 33.4 1.0 HD2 B:TYR48 4.0 36.1 1.0 CE2 B:TYR48 4.0 30.2 1.0 CD2 B:TYR48 4.0 30.1 1.0 CD1 B:ILE52 4.1 29.6 1.0 HAE A:EJK301 4.1 55.8 1.0 CE1 B:TYR137 4.1 36.1 1.0 CAI B:EJK301 4.1 45.4 1.0 CAC B:EJK301 4.2 37.7 1.0 HD12 B:ILE52 4.2 35.5 1.0 HE1 B:TYR137 4.3 43.3 1.0 CAE A:EJK301 4.4 46.6 1.0 HG13 B:ILE52 4.5 33.8 1.0 CD2 B:TYR137 4.6 33.9 1.0 CL1 A:EJK301 4.6 42.5 1.0 CAF A:EJK301 4.6 43.1 1.0 CL1 B:EJK301 4.6 33.3 1.0 CZ B:TYR48 4.7 34.5 1.0 HD13 B:ILE52 4.7 35.5 1.0 HG21 B:THR51 4.7 44.1 1.0 HAC B:EJK301 4.7 45.2 1.0 CG B:TYR48 4.8 28.6 1.0 HB B:THR51 4.8 44.4 1.0 CBE B:EJK301 4.8 54.5 1.0 CG1 B:ILE52 4.8 28.2 1.0 FAH B:EJK301 4.8 38.6 1.0 CAA B:EJK301 4.9 34.1 1.0 CD1 B:TYR137 4.9 33.8 1.0 HG12 B:ILE52 5.0 33.8 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