Potassium in PDB 6b2w: C. Jejuni C315S Agmatine Deiminase with Substrate Bound

The structure of C. Jejuni C315S Agmatine Deiminase with Substrate Bound, PDB code: 6b2w was solved by R.Shek, K.A.Hicks, J.B.French, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.83 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.528, 80.884, 85.626, 90.00, 95.26, 90.00
R / Rfree (%)	19.8 / 26.5

The binding sites of Potassium atom in the C. Jejuni C315S Agmatine Deiminase with Substrate Bound (pdb code 6b2w). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the C. Jejuni C315S Agmatine Deiminase with Substrate Bound, PDB code: 6b2w:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the C. Jejuni C315S Agmatine Deiminase with Substrate Bound


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of C. Jejuni C315S Agmatine Deiminase with Substrate Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:K402 b:50.1 occ:1.00 O A:PHE99 2.6 34.3 1.0 OD1 A:ASP98 2.6 36.1 1.0 OD1 A:ASN114 3.0 46.8 1.0 O A:ASN114 3.2 43.9 1.0 O A:HOH568 3.3 36.0 1.0 CG A:ASP98 3.6 36.1 1.0 C A:PHE99 3.8 34.3 1.0 CG A:ASN114 3.9 46.4 1.0 ND2 A:ASN117 4.0 38.8 1.0 OD2 A:ASP98 4.0 36.1 1.0 C A:ASN114 4.1 44.5 1.0 CA A:ASN114 4.1 45.7 1.0 O A:HOH523 4.2 37.4 1.0 O A:HOH627 4.2 34.9 1.0 O A:PHE83 4.3 25.8 1.0 CA A:THR100 4.4 36.5 1.0 C A:ASP98 4.5 34.6 1.0 N A:PHE101 4.5 39.2 1.0 N A:THR100 4.5 35.5 1.0 N A:PHE99 4.5 34.1 1.0 O A:HOH569 4.6 45.0 1.0 CB A:ASN114 4.6 46.4 1.0 O A:ASP98 4.7 35.1 1.0 ND2 A:ASN114 4.7 46.0 1.0 C A:THR100 4.7 37.7 1.0 O A:HOH591 4.8 24.9 1.0 CB A:ASP98 4.8 35.5 1.0 CA A:PHE99 4.8 33.5 1.0 CB A:PHE101 4.8 40.0 1.0 CG A:ASN117 4.8 38.6 1.0 CA A:ASP98 4.8 34.8 1.0 CB A:ASN117 4.8 38.0 1.0

Potassium binding site 2 out of 2 in the C. Jejuni C315S Agmatine Deiminase with Substrate Bound


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of C. Jejuni C315S Agmatine Deiminase with Substrate Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:K402 b:44.5 occ:1.00 O B:PHE99 2.5 34.9 1.0 OD1 B:ASP98 2.5 33.8 1.0 O B:ASN114 3.0 40.6 1.0 OD1 B:ASN114 3.2 43.4 1.0 CG B:ASP98 3.5 34.9 1.0 C B:PHE99 3.7 35.3 1.0 O B:HOH584 3.7 23.3 1.0 CG B:ASN114 3.9 43.5 1.0 OD2 B:ASP98 3.9 35.3 1.0 C B:ASN114 3.9 40.3 1.0 CB B:ASN114 4.0 42.6 1.0 CA B:ASN114 4.1 41.5 1.0 ND2 B:ASN117 4.2 34.3 1.0 O B:HOH517 4.2 29.3 1.0 O B:HOH585 4.3 33.4 1.0 CA B:THR100 4.4 36.5 1.0 N B:PHE99 4.4 34.6 1.0 C B:ASP98 4.5 34.8 1.0 N B:THR100 4.5 36.1 1.0 O B:PHE83 4.5 24.1 1.0 N B:PHE101 4.6 36.4 1.0 CA B:PHE99 4.7 34.8 1.0 O B:HOH611 4.7 26.7 1.0 CB B:ASP98 4.7 35.0 1.0 O B:ASP98 4.7 35.0 1.0 C B:THR100 4.8 36.4 1.0 CA B:ASP98 4.9 34.7 1.0 ND2 B:ASN114 4.9 45.1 1.0 O B:HOH543 5.0 40.7 1.0

R.Shek, D.A.Dattmore, D.P.Stives, A.L.Jackson, C.H.Chatfield, K.A.Hicks, J.B.French. Structural and Functional Basis For Targeting Campylobacter Jejuni Agmatine Deiminase to Overcome Antibiotic Resistance. Biochemistry V. 56 6734 2017.
ISSN: ISSN 1520-4995
PubMed: 29190068
DOI: 10.1021/ACS.BIOCHEM.7B00982