Fluorine in PDB 9b4v: 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa)

The binding sites of Fluorine atom in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa) (pdb code 9b4v). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa), PDB code: 9b4v:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F10 b:0.0 occ:1.00 F A:4FW10 0.0 0.0 1.0 CE3 A:4FW10 1.4 0.0 1.0 CZ3 A:4FW10 2.4 0.0 1.0 CD2 A:4FW10 2.4 0.0 1.0 HB3 A:ASN8 2.4 0.0 1.0 HB2 A:4FW10 2.6 0.0 1.0 HZ3 A:4FW10 2.6 0.0 1.0 C A:GLN9 2.8 0.0 1.0 C A:ASN8 2.8 0.0 1.0 N A:GLN9 2.9 0.0 1.0 O A:GLN9 3.0 0.0 1.0 O A:ASN8 3.0 0.0 1.0 CG A:4FW10 3.1 0.0 1.0 HD11 A:ILE126 3.1 0.0 1.0 CA A:GLN9 3.2 0.0 1.0 N A:4FW10 3.2 0.0 1.0 CB A:4FW10 3.2 0.0 1.0 CB A:ASN8 3.3 0.0 1.0 HA A:GLN9 3.3 0.0 1.0 H A:GLN9 3.3 0.0 1.0 HB A:ILE126 3.3 0.0 1.0 HB2 A:ASN8 3.5 0.0 1.0 H A:4FW10 3.6 0.0 1.0 CA A:ASN8 3.6 0.0 1.0 CH2 A:4FW10 3.7 0.0 1.0 CE2 A:4FW10 3.7 0.0 1.0 CA A:4FW10 3.8 0.0 1.0 HA A:ASN8 4.0 0.0 1.0 HB3 A:ASN18 4.0 0.0 1.0 HG23 A:ILE126 4.1 0.0 1.0 HB3 A:4FW10 4.2 0.0 1.0 CZ2 A:4FW10 4.2 0.0 1.0 CD1 A:ILE126 4.2 0.0 1.0 CB A:ILE126 4.3 0.0 1.0 CD1 A:4FW10 4.4 0.0 1.0 HA A:4FW10 4.5 0.0 1.0 O A:GLY127 4.5 0.0 1.0 HD13 A:ILE126 4.5 0.0 1.0 HH2 A:4FW10 4.5 0.0 1.0 CG A:ASN8 4.6 0.0 1.0 H A:ASN18 4.6 0.0 1.0 NE1 A:4FW10 4.6 0.0 1.0 CG2 A:ILE126 4.6 0.0 1.0 CB A:GLN9 4.6 0.0 1.0 HH12 A:ARG95 4.6 0.0 1.0 H A:GLY127 4.7 0.0 1.0 HE1 A:TYR120 4.8 0.0 1.0 CG1 A:ILE126 4.8 0.0 1.0 HG22 A:ILE126 4.8 0.0 1.0 HD12 A:ILE126 4.8 0.0 1.0 N A:ASN8 4.8 0.0 1.0 HB2 A:ASN18 4.9 0.0 1.0 CB A:ASN18 4.9 0.0 1.0 C A:4FW10 4.9 0.0 1.0 HB3 A:GLN9 4.9 0.0 1.0 HH22 A:ARG95 5.0 0.0 1.0

Fluorine binding site 2 out of 6 in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F17 b:0.0 occ:1.00 F A:4FW17 0.0 0.0 1.0 CE3 A:4FW17 1.4 0.0 1.0 HB3 A:LYS129 2.4 0.0 1.0 HB2 A:GLU7 2.4 0.0 1.0 CD2 A:4FW17 2.4 0.0 1.0 CZ3 A:4FW17 2.4 0.0 1.0 O A:GLU7 2.5 0.0 1.0 HB2 A:4FW17 2.5 0.0 1.0 HE2 A:LYS129 2.6 0.0 1.0 HZ3 A:4FW17 2.6 0.0 1.0 C A:GLU7 2.7 0.0 1.0 HB3 A:GLU7 3.0 0.0 1.0 CB A:GLU7 3.0 0.0 1.0 CG A:4FW17 3.1 0.0 1.0 HB2 A:GLN9 3.1 0.0 1.0 CB A:4FW17 3.2 0.0 1.0 HA A:4FW17 3.2 0.0 1.0 N A:ASN8 3.3 0.0 1.0 CB A:LYS129 3.3 0.0 1.0 CA A:GLU7 3.4 0.0 1.0 HB2 A:LYS129 3.5 0.0 1.0 HA A:ASN8 3.5 0.0 1.0 N A:GLN9 3.5 0.0 1.0 H A:GLN9 3.5 0.0 1.0 C A:ASN8 3.5 0.0 1.0 H A:LYS129 3.5 0.0 1.0 CE A:LYS129 3.6 0.0 1.0 CA A:ASN8 3.7 0.0 1.0 CA A:4FW17 3.7 0.0 1.0 CE2 A:4FW17 3.7 0.0 1.0 CH2 A:4FW17 3.7 0.0 1.0 HE3 A:LYS129 3.9 0.0 1.0 H A:ASN8 3.9 0.0 1.0 CB A:GLN9 3.9 0.0 1.0 N A:LYS129 3.9 0.0 1.0 H A:GLU7 3.9 0.0 1.0 HB3 A:GLN9 4.0 0.0 1.0 O A:ASN8 4.1 0.0 1.0 HB3 A:4FW17 4.1 0.0 1.0 N A:GLU7 4.2 0.0 1.0 CZ2 A:4FW17 4.2 0.0 1.0 H A:ASN18 4.2 0.0 1.0 CA A:GLN9 4.2 0.0 1.0 CA A:LYS129 4.3 0.0 1.0 C A:4FW17 4.3 0.0 1.0 HA A:GLU7 4.3 0.0 1.0 OE1 A:GLU7 4.3 0.0 1.0 CG A:LYS129 4.3 0.0 1.0 CD1 A:4FW17 4.3 0.0 1.0 HG2 A:LYS129 4.4 0.0 1.0 HZ1 A:LYS129 4.4 0.0 1.0 HA A:PHE128 4.4 0.0 1.0 CD A:LYS129 4.4 0.0 1.0 CG A:GLU7 4.4 0.0 1.0 HA A:GLN9 4.5 0.0 1.0 N A:ASN18 4.5 0.0 1.0 O A:GLY127 4.5 0.0 1.0 NZ A:LYS129 4.5 0.0 1.0 HD3 A:LYS129 4.5 0.0 1.0 HH2 A:4FW17 4.6 0.0 1.0 NE1 A:4FW17 4.6 0.0 1.0 C A:PHE128 4.7 0.0 1.0 HZ3 A:LYS129 4.7 0.0 1.0 O A:LYS129 4.8 0.0 1.0 HG3 A:GLU7 4.8 0.0 1.0 CD A:GLU7 4.9 0.0 1.0 C A:GLY127 5.0 0.0 1.0 CA A:PHE128 5.0 0.0 1.0 N A:4FW17 5.0 0.0 1.0

Fluorine binding site 3 out of 6 in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F23 b:0.0 occ:1.00 F A:4FW23 0.0 0.0 1.0 CE3 A:4FW23 1.4 0.0 1.0 CZ3 A:4FW23 2.4 0.0 1.0 CD2 A:4FW23 2.4 0.0 1.0 HB2 A:4FW23 2.4 0.0 1.0 HD23 A:LEU92 2.5 0.0 1.0 HZ3 A:4FW23 2.6 0.0 1.0 HG12 A:ILE25 2.7 0.0 1.0 HD22 A:LEU92 2.8 0.0 1.0 HD11 A:ILE25 2.8 0.0 1.0 CD2 A:LEU92 3.1 0.0 1.0 CG A:4FW23 3.1 0.0 1.0 HD12 A:ILE25 3.2 0.0 1.0 HA A:LEU92 3.2 0.0 1.0 CB A:4FW23 3.2 0.0 1.0 CD1 A:ILE25 3.3 0.0 1.0 CG1 A:ILE25 3.4 0.0 1.0 HD21 A:LEU92 3.6 0.0 1.0 HG13 A:ILE25 3.6 0.0 1.0 CE2 A:4FW23 3.7 0.0 1.0 CH2 A:4FW23 3.7 0.0 1.0 O A:ILE91 3.8 0.0 1.0 HZ A:PHE128 3.9 0.0 1.0 HB3 A:4FW23 3.9 0.0 1.0 HD12 A:ILE103 4.1 0.0 1.0 HA A:4FW23 4.1 0.0 1.0 CZ2 A:4FW23 4.2 0.0 1.0 CA A:LEU92 4.2 0.0 1.0 CA A:4FW23 4.2 0.0 1.0 HB3 A:LEU92 4.2 0.0 1.0 HG22 A:ILE103 4.3 0.0 1.0 HG23 A:ILE25 4.3 0.0 1.0 HD13 A:ILE25 4.3 0.0 1.0 CD1 A:4FW23 4.3 0.0 1.0 HD13 A:ILE36 4.4 0.0 1.0 CG A:LEU92 4.4 0.0 1.0 HD11 A:ILE36 4.4 0.0 1.0 CZ A:PHE128 4.5 0.0 1.0 HE1 A:PHE128 4.5 0.0 1.0 HD11 A:ILE103 4.5 0.0 1.0 CB A:LEU92 4.5 0.0 1.0 F A:4FW90 4.5 0.0 1.0 HH2 A:4FW23 4.5 0.0 1.0 NE1 A:4FW23 4.6 0.0 1.0 HG13 A:VAL6 4.6 0.0 1.0 C A:4FW23 4.6 0.0 1.0 HD12 A:ILE36 4.7 0.0 1.0 CD1 A:ILE36 4.7 0.0 1.0 O A:GLU24 4.7 0.0 1.0 C A:ILE91 4.7 0.0 1.0 CB A:ILE25 4.8 0.0 1.0 CE1 A:PHE128 4.8 0.0 1.0 CD1 A:ILE103 4.8 0.0 1.0 H A:GLY93 4.8 0.0 1.0 H A:GLU24 5.0 0.0 1.0 N A:LEU92 5.0 0.0 1.0 HD12 A:LEU92 5.0 0.0 1.0 C A:LEU92 5.0 0.0 1.0

Fluorine binding site 4 out of 6 in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F77 b:0.0 occ:1.00 F A:4FW77 0.0 0.0 1.0 CE3 A:4FW77 1.4 0.0 1.0 HB3 A:ASN75 2.4 0.0 1.0 CZ3 A:4FW77 2.4 0.0 1.0 CD2 A:4FW77 2.4 0.0 1.0 HB2 A:4FW77 2.5 0.0 1.0 O A:ASN75 2.6 0.0 1.0 HZ3 A:4FW77 2.6 0.0 1.0 C A:ASN75 2.8 0.0 1.0 HB2 A:ASN75 3.1 0.0 1.0 CB A:ASN75 3.1 0.0 1.0 CG A:4FW77 3.1 0.0 1.0 C A:GLN76 3.2 0.0 1.0 CB A:4FW77 3.2 0.0 1.0 N A:GLN76 3.2 0.0 1.0 HB A:ILE59 3.3 0.0 1.0 N A:4FW77 3.4 0.0 1.0 O A:GLN76 3.4 0.0 1.0 CA A:ASN75 3.5 0.0 1.0 CA A:GLN76 3.6 0.0 1.0 HA A:GLN76 3.6 0.0 1.0 H A:4FW77 3.7 0.0 1.0 CH2 A:4FW77 3.7 0.0 1.0 CE2 A:4FW77 3.7 0.0 1.0 HG13 A:ILE59 3.7 0.0 1.0 H A:GLN76 3.8 0.0 1.0 HD13 A:ILE59 3.9 0.0 1.0 CA A:4FW77 3.9 0.0 1.0 HB2 A:HIS85 4.0 0.0 1.0 HG21 A:ILE59 4.0 0.0 1.0 HA A:ASN75 4.1 0.0 1.0 HB3 A:4FW77 4.1 0.0 1.0 CB A:ILE59 4.2 0.0 1.0 CZ2 A:4FW77 4.2 0.0 1.0 HE1 A:MET51 4.2 0.0 1.0 H A:HIS85 4.3 0.0 1.0 CG1 A:ILE59 4.3 0.0 1.0 CD1 A:4FW77 4.4 0.0 1.0 HA A:4FW77 4.4 0.0 1.0 CG A:ASN75 4.4 0.0 1.0 O A:GLY60 4.5 0.0 1.0 HH2 A:4FW77 4.5 0.0 1.0 CD1 A:ILE59 4.6 0.0 1.0 NE1 A:4FW77 4.6 0.0 1.0 CG2 A:ILE59 4.6 0.0 1.0 N A:ASN75 4.7 0.0 1.0 HD21 A:ASN75 4.7 0.0 1.0 H A:ASN75 4.7 0.0 1.0 HE2 A:MET51 4.8 0.0 1.0 H A:GLY60 4.9 0.0 1.0 ND1 A:HIS85 4.9 0.0 1.0 HD11 A:ILE59 5.0 0.0 1.0 CB A:HIS85 5.0 0.0 1.0

Fluorine binding site 5 out of 6 in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F84 b:0.0 occ:1.00 F A:4FW84 0.0 0.0 1.0 CE3 A:4FW84 1.4 0.0 1.0 CZ3 A:4FW84 2.4 0.0 1.0 CD2 A:4FW84 2.4 0.0 1.0 H A:ARG62 2.5 0.0 1.0 O A:GLU74 2.5 0.0 1.0 HB2 A:4FW84 2.6 0.0 1.0 HA A:PHE61 2.6 0.0 1.0 HZ3 A:4FW84 2.6 0.0 1.0 HA A:ASN75 2.7 0.0 1.0 H A:GLN76 2.8 0.0 1.0 N A:ARG62 2.9 0.0 1.0 N A:PHE61 3.1 0.0 1.0 CA A:PHE61 3.1 0.0 1.0 C A:GLY60 3.1 0.0 1.0 O A:GLY60 3.1 0.0 1.0 CG A:4FW84 3.2 0.0 1.0 C A:PHE61 3.2 0.0 1.0 HB2 A:ARG62 3.2 0.0 1.0 CB A:4FW84 3.3 0.0 1.0 C A:GLU74 3.4 0.0 1.0 HB3 A:ARG62 3.5 0.0 1.0 N A:GLN76 3.5 0.0 1.0 CA A:ASN75 3.6 0.0 1.0 H A:PHE61 3.6 0.0 1.0 HB3 A:GLN76 3.6 0.0 1.0 HA3 A:GLY60 3.7 0.0 1.0 CH2 A:4FW84 3.7 0.0 1.0 CB A:ARG62 3.7 0.0 1.0 CE2 A:4FW84 3.7 0.0 1.0 HA A:4FW84 3.8 0.0 1.0 N A:ASN75 3.9 0.0 1.0 CA A:ARG62 3.9 0.0 1.0 C A:ASN75 4.0 0.0 1.0 HB2 A:GLU74 4.0 0.0 1.0 CA A:GLY60 4.0 0.0 1.0 HB3 A:4FW84 4.1 0.0 1.0 CA A:4FW84 4.1 0.0 1.0 CZ2 A:4FW84 4.2 0.0 1.0 O A:PHE61 4.2 0.0 1.0 OD1 A:ASN75 4.3 0.0 1.0 OE1 A:GLN76 4.3 0.0 1.0 HG2 A:GLN76 4.3 0.0 1.0 CD1 A:4FW84 4.4 0.0 1.0 CB A:GLN76 4.4 0.0 1.0 H A:GLU74 4.5 0.0 1.0 CA A:GLU74 4.5 0.0 1.0 CB A:PHE61 4.6 0.0 1.0 HH2 A:4FW84 4.6 0.0 1.0 CA A:GLN76 4.6 0.0 1.0 HA A:ARG62 4.6 0.0 1.0 HA2 A:GLY60 4.6 0.0 1.0 CB A:GLU74 4.6 0.0 1.0 NE1 A:4FW84 4.7 0.0 1.0 O A:ARG62 4.7 0.0 1.0 HB3 A:GLU74 4.7 0.0 1.0 H A:ASN75 4.8 0.0 1.0 HB2 A:PHE61 4.8 0.0 1.0 CG A:GLN76 4.8 0.0 1.0 CB A:ASN75 4.8 0.0 1.0 C A:ARG62 4.9 0.0 1.0 N A:GLU74 4.9 0.0 1.0

Fluorine binding site 6 out of 6 in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa) within 5.0Å range: probe atom residue distance (Å) B Occ A:F90 b:0.0 occ:1.00 F A:4FW90 0.0 0.0 1.0 CE3 A:4FW90 1.4 0.0 1.0 HD21 A:LEU92 2.3 0.0 1.0 CZ3 A:4FW90 2.4 0.0 1.0 CD2 A:4FW90 2.4 0.0 1.0 HB2 A:4FW90 2.5 0.0 1.0 HZ3 A:4FW90 2.6 0.0 1.0 HG23 A:ILE25 2.7 0.0 1.0 HD13 A:ILE36 3.0 0.0 1.0 CG A:4FW90 3.1 0.0 1.0 CB A:4FW90 3.3 0.0 1.0 CD2 A:LEU92 3.3 0.0 1.0 HA A:ILE25 3.4 0.0 1.0 HG12 A:ILE25 3.4 0.0 1.0 CG2 A:ILE25 3.6 0.0 1.0 HD23 A:LEU92 3.6 0.0 1.0 HG21 A:ILE25 3.6 0.0 1.0 CE2 A:4FW90 3.7 0.0 1.0 CH2 A:4FW90 3.7 0.0 1.0 HD22 A:LEU92 3.7 0.0 1.0 HE1 A:PHE61 3.8 0.0 1.0 HZ A:PHE61 3.8 0.0 1.0 HG22 A:ILE36 3.9 0.0 1.0 HB3 A:4FW90 3.9 0.0 1.0 CD1 A:ILE36 4.0 0.0 1.0 HD12 A:LEU92 4.1 0.0 1.0 CE1 A:PHE61 4.1 0.0 1.0 HD11 A:LEU92 4.1 0.0 1.0 CZ A:PHE61 4.1 0.0 1.0 CZ2 A:4FW90 4.2 0.0 1.0 H A:GLY26 4.2 0.0 1.0 CG1 A:ILE25 4.3 0.0 1.0 CB A:ILE25 4.3 0.0 1.0 CA A:ILE25 4.3 0.0 1.0 CD1 A:4FW90 4.4 0.0 1.0 HD12 A:ILE36 4.4 0.0 1.0 O A:GLU24 4.4 0.0 1.0 CG A:LEU92 4.4 0.0 1.0 CD1 A:LEU92 4.4 0.0 1.0 HA A:4FW90 4.4 0.0 1.0 HG22 A:ILE25 4.4 0.0 1.0 CA A:4FW90 4.4 0.0 1.0 HD12 A:ILE103 4.5 0.0 1.0 HG12 A:ILE36 4.5 0.0 1.0 F A:4FW23 4.5 0.0 1.0 HH2 A:4FW90 4.5 0.0 1.0 HD12 A:ILE25 4.5 0.0 1.0 HD11 A:ILE36 4.6 0.0 1.0 NE1 A:4FW90 4.6 0.0 1.0 HG12 A:VAL73 4.6 0.0 1.0 HG23 A:ILE36 4.6 0.0 1.0 HG A:LEU92 4.6 0.0 1.0 CG2 A:ILE36 4.7 0.0 1.0 CG1 A:ILE36 4.9 0.0 1.0 N A:GLY26 4.9 0.0 1.0

B.R.Runge, R.Zadorozhnyi, C.M.Quinn, R.W.Russell, M.Lu, S.Antolinez, J.Struppe, C.D.Schwieters, I.L.Byeon, J.A.Hadden-Perilla, A.M.Gronenborn, T.Polenova. Integrating 19 F Distance Restraints For Accurate Protein Structure Determination By Magic Angle Spinning uc(Nmr) Spectroscopy. J.Am.Chem.Soc. 2024.
ISSN: ESSN 1520-5126
PubMed: 39440810
DOI: 10.1021/JACS.4C11373