Fluorine in PDB 9b4w: 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa)

The binding sites of Fluorine atom in the 4F-Trp Labeled Oscillatoria Agardhii Agglutinin (Oaa) (pdb code 9b4w). 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: 9b4w:
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 HB2 A:4FW10 2.6 0.0 1.0 HZ3 A:4FW10 2.6 0.0 1.0 O A:4FW10 2.7 0.0 1.0 C A:4FW10 2.8 0.0 1.0 HA3 A:GLY11 2.9 0.0 1.0 CG A:4FW10 3.1 0.0 1.0 N A:GLY11 3.1 0.0 1.0 CB A:4FW10 3.2 0.0 1.0 CA A:GLY11 3.3 0.0 1.0 HA2 A:GLY11 3.4 0.0 1.0 CA A:4FW10 3.6 0.0 1.0 CE2 A:4FW10 3.7 0.0 1.0 CH2 A:4FW10 3.7 0.0 1.0 H A:GLY11 3.7 0.0 1.0 CZ2 A:4FW10 4.2 0.0 1.0 HB3 A:4FW10 4.2 0.0 1.0 HA A:4FW10 4.3 0.0 1.0 CD1 A:4FW10 4.4 0.0 1.0 HH2 A:4FW10 4.5 0.0 1.0 H A:4FW10 4.6 0.0 1.0 NE1 A:4FW10 4.6 0.0 1.0 N A:4FW10 4.6 0.0 1.0 HB3 A:ALA15 4.6 0.0 1.0 C A:GLY11 4.8 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 H A:4FW17 2.3 0.0 1.0 CZ3 A:4FW17 2.4 0.0 1.0 CD2 A:4FW17 2.4 0.0 1.0 HB2 A:4FW17 2.5 0.0 1.0 HZ3 A:4FW17 2.6 0.0 1.0 N A:4FW17 3.1 0.0 1.0 CG A:4FW17 3.1 0.0 1.0 CB A:4FW17 3.2 0.0 1.0 HA A:PRO16 3.3 0.0 1.0 CE2 A:4FW17 3.7 0.0 1.0 CH2 A:4FW17 3.7 0.0 1.0 CA A:4FW17 3.7 0.0 1.0 C A:PRO16 4.0 0.0 1.0 CA A:PRO16 4.1 0.0 1.0 HB3 A:4FW17 4.1 0.0 1.0 CZ2 A:4FW17 4.2 0.0 1.0 HA A:4FW17 4.3 0.0 1.0 CD1 A:4FW17 4.3 0.0 1.0 O A:ALA15 4.4 0.0 1.0 HH2 A:4FW17 4.5 0.0 1.0 HE21 A:GLN9 4.5 0.0 1.0 NE1 A:4FW17 4.6 0.0 1.0 C A:4FW17 4.9 0.0 1.0 HE3 A:LYS129 4.9 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 HD12 A:ILE25 2.3 0.0 1.0 HD23 A:LEU92 2.4 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 HG12 A:ILE25 2.5 0.0 1.0 HZ3 A:4FW23 2.6 0.0 1.0 HD22 A:LEU92 2.8 0.0 1.0 CD1 A:ILE25 2.9 0.0 1.0 HA A:LEU92 2.9 0.0 1.0 HD13 A:ILE25 2.9 0.0 1.0 CG1 A:ILE25 3.0 0.0 1.0 CD2 A:LEU92 3.1 0.0 1.0 CG A:4FW23 3.1 0.0 1.0 CB A:4FW23 3.2 0.0 1.0 HG13 A:ILE25 3.3 0.0 1.0 HD21 A:LEU92 3.6 0.0 1.0 O A:ILE91 3.7 0.0 1.0 CE2 A:4FW23 3.7 0.0 1.0 CH2 A:4FW23 3.7 0.0 1.0 HD11 A:ILE25 3.9 0.0 1.0 CA A:LEU92 3.9 0.0 1.0 HB3 A:4FW23 3.9 0.0 1.0 HB3 A:LEU92 4.0 0.0 1.0 HA A:4FW23 4.0 0.0 1.0 HG21 A:ILE25 4.1 0.0 1.0 CA A:4FW23 4.1 0.0 1.0 CZ2 A:4FW23 4.2 0.0 1.0 HZ A:PHE128 4.2 0.0 1.0 HD12 A:ILE103 4.2 0.0 1.0 HE1 A:PHE128 4.3 0.0 1.0 CG A:LEU92 4.3 0.0 1.0 CB A:LEU92 4.3 0.0 1.0 CD1 A:4FW23 4.4 0.0 1.0 CB A:ILE25 4.5 0.0 1.0 HG22 A:ILE103 4.5 0.0 1.0 C A:ILE91 4.5 0.0 1.0 HH2 A:4FW23 4.5 0.0 1.0 O A:GLU24 4.6 0.0 1.0 C A:4FW23 4.6 0.0 1.0 NE1 A:4FW23 4.6 0.0 1.0 H A:GLY93 4.7 0.0 1.0 N A:LEU92 4.7 0.0 1.0 HD11 A:ILE36 4.7 0.0 1.0 HD11 A:ILE103 4.7 0.0 1.0 C A:LEU92 4.7 0.0 1.0 HD13 A:ILE36 4.8 0.0 1.0 CG2 A:ILE25 4.8 0.0 1.0 CZ A:PHE128 4.8 0.0 1.0 HD13 A:LEU92 4.8 0.0 1.0 H A:GLU24 4.8 0.0 1.0 CE1 A:PHE128 4.8 0.0 1.0 N A:GLU24 4.9 0.0 1.0 HA A:ILE25 5.0 0.0 1.0 HG A:LEU92 5.0 0.0 1.0 N A:GLY93 5.0 0.0 1.0 CD1 A:ILE103 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 CZ3 A:4FW77 2.4 0.0 1.0 CD2 A:4FW77 2.4 0.0 1.0 O A:4FW77 2.6 0.0 1.0 HB2 A:4FW77 2.6 0.0 1.0 HZ3 A:4FW77 2.6 0.0 1.0 C A:4FW77 2.8 0.0 1.0 HA3 A:GLY78 2.9 0.0 1.0 CG A:4FW77 3.1 0.0 1.0 CB A:4FW77 3.2 0.0 1.0 N A:GLY78 3.3 0.0 1.0 CA A:GLY78 3.6 0.0 1.0 CA A:4FW77 3.6 0.0 1.0 CE2 A:4FW77 3.7 0.0 1.0 CH2 A:4FW77 3.7 0.0 1.0 HA2 A:GLY78 3.9 0.0 1.0 H A:GLY78 3.9 0.0 1.0 HB1 A:ALA82 3.9 0.0 1.0 CZ2 A:4FW77 4.2 0.0 1.0 HB3 A:4FW77 4.2 0.0 1.0 HA A:4FW77 4.3 0.0 1.0 CD1 A:4FW77 4.4 0.0 1.0 HB3 A:ALA82 4.4 0.0 1.0 H A:4FW77 4.5 0.0 1.0 HH2 A:4FW77 4.5 0.0 1.0 CB A:ALA82 4.6 0.0 1.0 NE1 A:4FW77 4.6 0.0 1.0 N A:4FW77 4.6 0.0 1.0 HB2 A:ALA82 4.7 0.0 1.0 HD2 A:PRO83 4.8 0.0 1.0 C A:GLY78 4.9 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 H A:4FW84 2.2 0.0 1.0 CZ3 A:4FW84 2.4 0.0 1.0 CD2 A:4FW84 2.4 0.0 1.0 HB2 A:4FW84 2.6 0.0 1.0 HZ3 A:4FW84 2.6 0.0 1.0 N A:4FW84 2.9 0.0 1.0 HA A:PRO83 2.9 0.0 1.0 CG A:4FW84 3.1 0.0 1.0 CB A:4FW84 3.2 0.0 1.0 CA A:4FW84 3.6 0.0 1.0 C A:PRO83 3.6 0.0 1.0 CE2 A:4FW84 3.7 0.0 1.0 CH2 A:4FW84 3.7 0.0 1.0 O A:ALA82 3.7 0.0 1.0 CA A:PRO83 3.7 0.0 1.0 CZ2 A:4FW84 4.2 0.0 1.0 HB3 A:4FW84 4.2 0.0 1.0 HA A:4FW84 4.3 0.0 1.0 CD1 A:4FW84 4.3 0.0 1.0 C A:ALA82 4.5 0.0 1.0 HH2 A:4FW84 4.5 0.0 1.0 N A:PRO83 4.6 0.0 1.0 NE1 A:4FW84 4.6 0.0 1.0 C A:4FW84 4.6 0.0 1.0 O A:4FW84 4.7 0.0 1.0 O A:PRO83 4.7 0.0 1.0 OE1 A:GLN76 4.7 0.0 1.0 O A:ASP80 4.8 0.0 1.0 HB3 A:PRO83 4.8 0.0 1.0 HG2 A:GLN76 4.8 0.0 1.0 CB A:PRO83 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 H A:GLY26 2.3 0.0 1.0 CD2 A:4FW90 2.4 0.0 1.0 CZ3 A:4FW90 2.4 0.0 1.0 HB2 A:4FW90 2.6 0.0 1.0 HZ3 A:4FW90 2.6 0.0 1.0 N A:GLY26 2.7 0.0 1.0 O A:GLY26 2.7 0.0 1.0 C A:GLY26 2.8 0.0 1.0 CA A:GLY26 3.0 0.0 1.0 CG A:4FW90 3.1 0.0 1.0 CB A:4FW90 3.2 0.0 1.0 HA2 A:GLY26 3.2 0.0 1.0 HA A:4FW90 3.3 0.0 1.0 HB2 A:SER27 3.4 0.0 1.0 C A:ILE25 3.5 0.0 1.0 HA A:ILE25 3.5 0.0 1.0 CA A:4FW90 3.6 0.0 1.0 HA2 A:GLY88 3.6 0.0 1.0 N A:SER27 3.6 0.0 1.0 CE2 A:4FW90 3.7 0.0 1.0 CH2 A:4FW90 3.7 0.0 1.0 HG3 A:GLU24 3.7 0.0 1.0 N A:4FW90 3.8 0.0 1.0 CA A:ILE25 4.0 0.0 1.0 HA3 A:GLY26 4.1 0.0 1.0 H A:4FW90 4.1 0.0 1.0 C A:ASN89 4.1 0.0 1.0 CZ2 A:4FW90 4.2 0.0 1.0 HB3 A:4FW90 4.2 0.0 1.0 H A:SER27 4.2 0.0 1.0 C A:GLY88 4.2 0.0 1.0 CB A:SER27 4.2 0.0 1.0 O A:GLY88 4.3 0.0 1.0 O A:ASN89 4.3 0.0 1.0 CD1 A:4FW90 4.3 0.0 1.0 CA A:SER27 4.3 0.0 1.0 O A:ILE25 4.4 0.0 1.0 CA A:GLY88 4.4 0.0 1.0 HA A:SER27 4.5 0.0 1.0 O A:GLU24 4.5 0.0 1.0 HB3 A:SER27 4.5 0.0 1.0 N A:ASN89 4.5 0.0 1.0 N A:ILE25 4.5 0.0 1.0 HH2 A:4FW90 4.5 0.0 1.0 NE1 A:4FW90 4.6 0.0 1.0 C A:GLU24 4.7 0.0 1.0 CG A:GLU24 4.8 0.0 1.0 O A:GLY87 4.8 0.0 1.0 HG22 A:ILE25 4.8 0.0 1.0 H A:ASN89 4.8 0.0 1.0 HA3 A:GLY88 4.9 0.0 1.0 CA A:ASN89 5.0 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