Fluorine in PDB 2m98: uc(Nmr) Structure of BEF3 Activated SMA0114

The structure of uc(Nmr) Structure of BEF3 Activated SMA0114 also contains other interesting chemical elements:

Calcium

(Ca)

26 atoms

The binding sites of Fluorine atom in the uc(Nmr) Structure of BEF3 Activated SMA0114 (pdb code 2m98). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the uc(Nmr) Structure of BEF3 Activated SMA0114, PDB code: 2m98:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the uc(Nmr) Structure of BEF3 Activated SMA0114


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of uc(Nmr) Structure of BEF3 Activated SMA0114 within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:0.0 occ:1.00 F1 A:BEF202 0.0 0.0 1.0 BE A:BEF202 1.8 0.0 1.0 HZ2 A:LYS105 1.8 0.0 1.0 F2 A:BEF202 1.9 0.0 1.0 HG23 A:VAL61 2.0 0.0 1.0 F3 A:BEF202 2.0 0.0 1.0 CA A:CA201 2.1 0.0 1.0 HB A:VAL61 2.2 0.0 1.0 CG2 A:VAL61 2.7 0.0 1.0 NZ A:LYS105 2.8 0.0 1.0 CB A:VAL61 2.9 0.0 1.0 HB2 A:GLU15 3.0 0.0 1.0 HD2 A:LYS105 3.0 0.0 1.0 HZ3 A:LYS105 3.0 0.0 1.0 HG22 A:VAL61 3.0 0.0 1.0 OD2 A:ASP16 3.1 0.0 1.0 OD1 A:ASP16 3.3 0.0 1.0 HZ1 A:LYS105 3.4 0.0 1.0 CG A:ASP16 3.5 0.0 1.0 HG12 A:VAL61 3.6 0.0 1.0 HG21 A:VAL61 3.6 0.0 1.0 OD2 A:ASP60 3.7 0.0 1.0 CE A:LYS105 3.8 0.0 1.0 CD A:LYS105 3.8 0.0 1.0 OD1 A:ASP60 3.8 0.0 1.0 CG1 A:VAL61 3.8 0.0 1.0 CD A:GLU15 3.9 0.0 1.0 OE2 A:GLU15 3.9 0.0 1.0 HE3 A:LYS105 3.9 0.0 1.0 CG A:ASP60 3.9 0.0 1.0 CB A:GLU15 4.0 0.0 1.0 CA A:VAL61 4.0 0.0 1.0 H A:ASP16 4.0 0.0 1.0 HA A:VAL61 4.1 0.0 1.0 OE1 A:GLU15 4.1 0.0 1.0 OE2 A:GLU17 4.2 0.0 1.0 N A:VAL61 4.3 0.0 1.0 H A:VAL61 4.3 0.0 1.0 HG3 A:GLU15 4.3 0.0 1.0 CG A:GLU15 4.3 0.0 1.0 HG11 A:VAL61 4.4 0.0 1.0 HD3 A:LYS105 4.4 0.0 1.0 HB3 A:GLU15 4.5 0.0 1.0 HG13 A:VAL61 4.7 0.0 1.0 HG3 A:LYS105 4.7 0.0 1.0 N A:ASP16 4.7 0.0 1.0 HE2 A:LYS105 4.7 0.0 1.0 HB2 A:ASP60 4.9 0.0 1.0 CG A:LYS105 4.9 0.0 1.0 OE1 A:GLU17 4.9 0.0 1.0 CB A:ASP16 5.0 0.0 1.0 C A:ASP60 5.0 0.0 1.0 CA A:GLU15 5.0 0.0 1.0 HA A:GLU15 5.0 0.0 1.0 CD A:GLU17 5.0 0.0 1.0

Fluorine binding site 2 out of 3 in the uc(Nmr) Structure of BEF3 Activated SMA0114


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of uc(Nmr) Structure of BEF3 Activated SMA0114 within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:0.0 occ:1.00 F2 A:BEF202 0.0 0.0 1.0 BE A:BEF202 1.5 0.0 1.0 CA A:CA201 1.8 0.0 1.0 F1 A:BEF202 1.9 0.0 1.0 HZ2 A:LYS105 1.9 0.0 1.0 HD2 A:LYS105 2.2 0.0 1.0 OE1 A:GLU15 2.3 0.0 1.0 CD A:GLU15 2.3 0.0 1.0 F3 A:BEF202 2.4 0.0 1.0 OE2 A:GLU15 2.5 0.0 1.0 HB2 A:GLU15 2.5 0.0 1.0 HE3 A:LYS105 2.6 0.0 1.0 NZ A:LYS105 2.6 0.0 1.0 OD2 A:ASP60 2.6 0.0 1.0 CE A:LYS105 2.8 0.0 1.0 HZ3 A:LYS105 2.8 0.0 1.0 CD A:LYS105 2.8 0.0 1.0 HG3 A:LYS105 3.0 0.0 1.0 CB A:GLU15 3.2 0.0 1.0 CG A:GLU15 3.2 0.0 1.0 HB A:VAL61 3.3 0.0 1.0 CG A:ASP60 3.3 0.0 1.0 HB3 A:GLU15 3.5 0.0 1.0 CG A:LYS105 3.5 0.0 1.0 HZ1 A:LYS105 3.5 0.0 1.0 HG3 A:GLU15 3.5 0.0 1.0 OD1 A:ASP16 3.6 0.0 1.0 OD1 A:ASP60 3.6 0.0 1.0 HD3 A:LYS105 3.8 0.0 1.0 HG23 A:VAL61 3.8 0.0 1.0 HE2 A:LYS105 3.9 0.0 1.0 OE2 A:GLU17 4.1 0.0 1.0 HG2 A:GLU15 4.1 0.0 1.0 HG2 A:LYS105 4.2 0.0 1.0 HE2 A:PHE107 4.3 0.0 1.0 CB A:VAL61 4.3 0.0 1.0 OE1 A:GLU17 4.3 0.0 1.0 HB3 A:LYS105 4.4 0.0 1.0 CG A:ASP16 4.4 0.0 1.0 OD2 A:ASP16 4.4 0.0 1.0 CG2 A:VAL61 4.5 0.0 1.0 HB2 A:ASP60 4.5 0.0 1.0 CB A:LYS105 4.5 0.0 1.0 HB A:ILE20 4.6 0.0 1.0 HD12 A:ILE20 4.6 0.0 1.0 H A:ASP16 4.6 0.0 1.0 CB A:ASP60 4.6 0.0 1.0 CA A:GLU15 4.6 0.0 1.0 CD A:GLU17 4.6 0.0 1.0 HB3 A:MET19 4.7 0.0 1.0 H A:VAL61 4.7 0.0 1.0 HG22 A:VAL61 4.8 0.0 1.0 HG12 A:VAL61 4.9 0.0 1.0 HA A:GLU15 4.9 0.0 1.0 HB2 A:LYS105 4.9 0.0 1.0 N A:VAL61 4.9 0.0 1.0 N A:ASP16 5.0 0.0 1.0

Fluorine binding site 3 out of 3 in the uc(Nmr) Structure of BEF3 Activated SMA0114


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of uc(Nmr) Structure of BEF3 Activated SMA0114 within 5.0Å range: probe atom residue distance (Å) B Occ A:F202 b:0.0 occ:1.00 F3 A:BEF202 0.0 0.0 1.0 BE A:BEF202 1.3 0.0 1.0 HB A:VAL61 1.8 0.0 1.0 F1 A:BEF202 2.0 0.0 1.0 HD2 A:LYS105 2.1 0.0 1.0 F2 A:BEF202 2.4 0.0 1.0 H A:VAL61 2.5 0.0 1.0 HZ2 A:LYS105 2.5 0.0 1.0 CG A:ASP60 2.6 0.0 1.0 OD2 A:ASP60 2.6 0.0 1.0 CB A:VAL61 2.7 0.0 1.0 HG23 A:VAL61 2.7 0.0 1.0 N A:VAL61 2.7 0.0 1.0 OD1 A:ASP60 2.9 0.0 1.0 HB2 A:ASP60 3.0 0.0 1.0 CA A:VAL61 3.1 0.0 1.0 HA A:VAL61 3.1 0.0 1.0 CG2 A:VAL61 3.2 0.0 1.0 CD A:LYS105 3.2 0.0 1.0 HB2 A:GLU15 3.2 0.0 1.0 CB A:ASP60 3.3 0.0 1.0 NZ A:LYS105 3.5 0.0 1.0 C A:ASP60 3.5 0.0 1.0 HD3 A:LYS105 3.6 0.0 1.0 CA A:CA201 3.7 0.0 1.0 HB3 A:LYS105 3.7 0.0 1.0 HG21 A:VAL61 3.8 0.0 1.0 HZ1 A:LYS105 3.9 0.0 1.0 CG1 A:VAL61 3.9 0.0 1.0 HG22 A:VAL61 3.9 0.0 1.0 CE A:LYS105 4.0 0.0 1.0 HG3 A:LYS105 4.0 0.0 1.0 CA A:ASP60 4.1 0.0 1.0 OE1 A:GLU15 4.1 0.0 1.0 CG A:LYS105 4.1 0.0 1.0 HA A:THR86 4.1 0.0 1.0 HZ3 A:LYS105 4.2 0.0 1.0 HG11 A:VAL61 4.2 0.0 1.0 CB A:GLU15 4.2 0.0 1.0 HG12 A:VAL61 4.2 0.0 1.0 HB3 A:ASP60 4.2 0.0 1.0 HB3 A:GLU15 4.2 0.0 1.0 HE3 A:LYS105 4.3 0.0 1.0 O A:ASP60 4.3 0.0 1.0 O A:THR104 4.4 0.0 1.0 CB A:LYS105 4.4 0.0 1.0 CD A:GLU15 4.4 0.0 1.0 C A:VAL61 4.6 0.0 1.0 H A:GLY87 4.7 0.0 1.0 HA A:ASP60 4.7 0.0 1.0 HG13 A:VAL61 4.8 0.0 1.0 OE2 A:GLU15 4.9 0.0 1.0 OD2 A:ASP16 4.9 0.0 1.0 HB2 A:LYS105 4.9 0.0 1.0 HE2 A:LYS105 4.9 0.0 1.0 CG A:GLU15 4.9 0.0 1.0 OD1 A:ASP16 4.9 0.0 1.0 HG1 A:THR104 5.0 0.0 1.0

S.R.Sheftic, E.White, D.J.Gage, A.T.Alexandrescu. uc(Nmr) Structure of the Hwe Kinase Associated Response Regulator SMA0114 in Its Activated State. Biochemistry V. 53 311 2014.
ISSN: ISSN 0006-2960
PubMed: 24364624
DOI: 10.1021/BI401497H