Fluorine in PDB 5wmj: Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35

All present enzymatic activity of Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35:
1.15.1.1;

The structure of Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35, PDB code: 5wmj was solved by S.Sangwan, M.Sawaya, D.Eisenberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.12 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	9.518, 20.282, 44.249, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 17

The binding sites of Fluorine atom in the Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35 (pdb code 5wmj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35, PDB code: 5wmj:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35 within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:12.0 occ:1.00 F1 B:TFA101 0.0 12.0 1.0 C2 B:TFA101 1.3 13.6 1.0 F3 B:TFA101 2.1 12.6 1.0 F2 B:TFA101 2.2 13.2 1.0 C1 B:TFA101 2.3 12.8 1.0 O B:TFA101 2.6 12.7 1.0 O B:HOH203 3.4 12.4 1.0 OXT B:TFA101 3.5 11.2 1.0

Fluorine binding site 2 out of 3 in the Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35 within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:13.2 occ:1.00 F2 B:TFA101 0.0 13.2 1.0 C2 B:TFA101 1.3 13.6 1.0 F3 B:TFA101 2.1 12.6 1.0 F1 B:TFA101 2.2 12.0 1.0 C1 B:TFA101 2.4 12.8 1.0 OXT B:TFA101 2.9 11.2 1.0 O B:TFA101 3.4 12.7 1.0 NE1 A:TRP3 4.5 5.8 1.0

Fluorine binding site 3 out of 3 in the Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Kvwgsi Segment From Superoxide Dismutase 1,Residues 30-35 within 5.0Å range: probe atom residue distance (Å) B Occ B:F101 b:12.6 occ:1.00 F3 B:TFA101 0.0 12.6 1.0 C2 B:TFA101 1.3 13.6 1.0 F1 B:TFA101 2.1 12.0 1.0 F2 B:TFA101 2.1 13.2 1.0 C1 B:TFA101 2.3 12.8 1.0 OXT B:TFA101 2.7 11.2 1.0 O B:TFA101 3.3 12.7 1.0 NE1 A:TRP3 3.9 5.8 1.0 CZ2 A:TRP3 4.6 9.3 1.0 CE2 A:TRP3 4.6 6.8 1.0 OG B:SER5 4.9 7.1 1.0 CB B:SER5 4.9 4.0 1.0 CD1 A:TRP3 5.0 4.7 1.0

S.Sangwan, M.R.Sawaya, K.A.Murray, M.P.Hughes, D.S.Eisenberg. Atomic Structures of Corkscrew-Forming Segments of SOD1 Reveal Varied Oligomer Conformations. Protein Sci. V. 27 1231 2018.
ISSN: ESSN 1469-896X
PubMed: 29453800
DOI: 10.1002/PRO.3391