Sodium in PDB 6cuv: Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6

All present enzymatic activity of Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6:
4.2.1.20;

The structure of Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6, PDB code: 6cuv was solved by R.A.Scheele, A.R.Buller, C.E.Boville, F.H.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	83.577, 108.567, 159.331, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 25.9

The binding sites of Sodium atom in the Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6 (pdb code 6cuv). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6, PDB code: 6cuv:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na401 b:52.2 occ:1.00 O A:GLY303 2.5 40.3 1.0 O A:GLY227 3.1 35.5 1.0 OG A:SER265 3.1 45.0 1.0 O A:TYR301 3.2 81.1 1.0 O A:SER263 3.3 45.4 1.0 C A:GLY303 3.6 40.4 1.0 C A:GLY227 3.8 34.9 1.0 CB A:SER265 3.8 44.7 1.0 CA A:GLY227 4.1 34.6 1.0 OE2 A:GLU251 4.2 38.2 1.0 N A:SER265 4.2 45.5 1.0 O A:VAL226 4.3 35.2 1.0 CB A:VAL304 4.3 37.0 1.0 C A:TYR301 4.4 81.9 1.0 OG A:SER263 4.5 49.8 1.0 CA A:GLY303 4.5 42.3 1.0 C A:SER263 4.5 47.0 1.0 N A:GLY303 4.5 43.0 1.0 N A:VAL304 4.5 39.2 1.0 CA A:VAL304 4.6 37.6 1.0 CA A:SER265 4.7 45.4 1.0 N A:GLY228 4.8 34.6 1.0 C A:PRO302 4.9 44.8 1.0 C A:VAL226 4.9 34.5 1.0 CG2 A:VAL304 5.0 36.0 1.0

Sodium binding site 2 out of 4 in the Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na401 b:37.1 occ:1.00 O B:TYR301 2.6 61.0 1.0 O B:HOH517 2.7 47.5 1.0 O B:SER263 2.7 40.0 1.0 OG B:SER265 2.8 42.2 1.0 O B:GLY303 2.8 43.6 1.0 OG B:SER263 2.8 43.4 1.0 CB B:SER265 3.7 43.0 1.0 C B:GLY303 3.8 42.7 1.0 C B:SER263 3.8 42.0 1.0 C B:TYR301 3.8 62.9 1.0 O B:HOH508 3.9 34.0 1.0 O B:GLY227 4.0 35.6 1.0 CB B:SER263 4.0 42.5 1.0 O B:PRO302 4.0 62.8 1.0 C B:PRO302 4.1 64.1 1.0 N B:SER265 4.1 43.0 1.0 N B:GLY303 4.2 45.2 1.0 CA B:SER263 4.4 43.4 1.0 CA B:GLY303 4.4 44.4 1.0 C B:GLY227 4.4 34.6 1.0 O B:LEU299 4.5 54.2 1.0 CA B:SER265 4.6 43.9 1.0 CA B:TYR301 4.7 63.1 1.0 N B:TYR301 4.7 60.8 1.0 N B:PRO302 4.7 64.8 1.0 N B:VAL304 4.7 41.4 1.0 CA B:PRO302 4.7 64.7 1.0 CA B:GLY227 4.8 34.5 1.0 CD2 B:TYR301 4.8 68.4 1.0 CB B:TYR301 4.8 64.6 1.0 N B:ALA264 4.9 42.5 1.0 CB B:VAL304 4.9 40.1 1.0 OE2 B:GLU251 4.9 37.4 1.0

Sodium binding site 3 out of 4 in the Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na401 b:45.4 occ:1.00 O C:HOH505 2.5 34.6 1.0 O C:SER263 2.7 41.7 1.0 O C:GLY303 2.7 40.8 1.0 OG C:SER265 3.0 43.9 1.0 O C:TYR301 3.1 47.8 1.0 OG C:SER263 3.4 44.2 1.0 C C:GLY303 3.7 42.7 1.0 O C:GLY227 3.7 34.0 1.0 C C:SER263 3.8 43.2 1.0 CB C:SER265 4.0 44.7 1.0 N C:SER265 4.1 44.5 1.0 CB C:SER263 4.3 44.0 1.0 C C:TYR301 4.3 49.2 1.0 C C:GLY227 4.3 32.8 1.0 N C:GLY303 4.3 47.6 1.0 CA C:GLY303 4.4 45.9 1.0 OE2 C:GLU251 4.5 39.2 1.0 C C:PRO302 4.5 50.9 1.0 O C:LEU299 4.5 48.7 1.0 CA C:SER263 4.6 44.1 1.0 CA C:GLY227 4.6 32.7 1.0 O C:PRO302 4.6 52.2 1.0 CA C:SER265 4.7 45.8 1.0 CB C:VAL304 4.7 39.6 1.0 N C:VAL304 4.8 41.6 1.0 O C:VAL226 4.8 33.9 1.0 N C:ALA264 4.8 43.9 1.0 CA C:ALA264 5.0 44.1 1.0

Sodium binding site 4 out of 4 in the Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of Engineered Holo Trpb From Pyrococcus Furiosus, PFTRPB7E6 within 5.0Å range: probe atom residue distance (Å) B Occ D:Na401 b:54.2 occ:1.00 O D:SER263 2.8 54.1 1.0 O D:GLY303 2.9 85.0 1.0 OG D:SER265 2.9 55.2 1.0 O D:TYR301 3.1 87.6 1.0 OG D:SER263 3.3 55.8 1.0 O D:GLY227 3.6 45.6 1.0 CB D:SER265 3.7 56.0 1.0 C D:SER263 3.9 55.8 1.0 C D:GLY303 4.0 87.4 1.0 N D:SER265 4.1 56.7 1.0 C D:GLY227 4.2 43.7 1.0 CB D:SER263 4.3 55.3 1.0 C D:TYR301 4.3 90.2 1.0 CA D:GLY227 4.4 42.8 1.0 CA D:SER265 4.5 57.5 1.0 CB D:VAL304 4.6 81.3 1.0 O D:VAL226 4.6 43.0 1.0 CA D:SER263 4.6 56.5 1.0 O D:PRO302 4.6 93.6 1.0 OE2 D:GLU251 4.7 51.4 1.0 C D:PRO302 4.7 94.0 1.0 O D:LEU299 4.7 82.0 1.0 N D:GLY303 4.8 93.3 1.0 N D:VAL304 4.9 86.9 1.0 CA D:GLY303 4.9 91.8 1.0 N D:ALA264 4.9 57.2 1.0 CA D:VAL304 5.0 84.1 1.0

C.E.Boville, R.A.Scheele, P.Koch, S.Brinkmann-Chen, A.R.Buller, F.H.Arnold. Engineered Biosynthesis of Beta-Alkyl Tryptophan Analogues. Angew. Chem. Int. Ed. Engl. V. 57 14764 2018.
ISSN: ESSN 1521-3773
PubMed: 30215880
DOI: 10.1002/ANIE.201807998