Potassium in PDB 4ua6: Ctx-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution

The structure of Ctx-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution, PDB code: 4ua6 was solved by D.A.Nichols, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 0.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.106, 106.581, 47.716, 90.00, 102.23, 90.00
R / Rfree (%)	11 / 11.5

The binding sites of Potassium atom in the Ctx-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution (pdb code 4ua6). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Ctx-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution, PDB code: 4ua6:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Ctx-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Ctx-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:K2003 b:3.8 occ:0.45 O A:HOH2263 0.7 11.3 0.5 O A:HOH2313 2.7 8.4 1.0 O A:SER130 2.8 4.8 1.0 OG A:SER130 2.8 4.8 1.0 O A:HOH2223 2.9 15.9 0.5 OG A:SER70 2.9 4.3 1.0 O A:HOH2223 2.9 16.2 0.5 HB3 A:SER130 3.0 5.3 1.0 O2 A:PO42001 3.0 4.6 0.5 OD1 A:ASN132 3.0 6.1 1.0 O2 A:PO42001 3.1 5.9 0.2 HD21 A:ASN132 3.3 9.5 1.0 CB A:SER130 3.4 4.4 1.0 HD1 A:TYR105 3.4 13.8 1.0 HZ2 A:LYS73 3.6 7.0 1.0 CG A:ASN132 3.7 5.7 1.0 C A:SER130 3.7 3.9 1.0 ND2 A:ASN132 3.8 7.9 1.0 HZ1 A:LYS73 3.8 7.0 1.0 HE2 A:LYS73 3.8 5.0 1.0 O A:HOH2106 3.9 5.5 1.0 CB A:SER70 4.0 3.9 1.0 HB2 A:SER70 4.0 4.7 1.0 O1 A:PO42001 4.0 6.8 0.2 O A:HOH2124 4.1 6.3 1.0 CA A:SER130 4.1 3.8 1.0 NZ A:LYS73 4.1 4.7 1.0 HB3 A:TYR105 4.1 15.6 1.0 P A:PO42001 4.1 4.3 0.5 P A:PO42001 4.2 4.5 0.2 HB2 A:SER130 4.2 5.3 1.0 CD1 A:TYR105 4.2 11.5 1.0 HB3 A:SER70 4.3 4.7 1.0 HA A:SER130 4.3 4.5 1.0 O4 A:PO42001 4.4 6.1 0.5 O1 A:PO42001 4.4 7.1 0.5 CE A:LYS73 4.5 4.2 1.0 HD22 A:ASN132 4.6 9.5 1.0 HZ1 A:LYS234 4.6 6.1 1.0 O3 A:PO42001 4.7 5.4 0.2 HE1 A:TYR105 4.8 16.0 1.0 CE1 A:TYR105 4.9 13.3 1.0 HZ3 A:LYS73 4.9 7.0 1.0 CB A:TYR105 4.9 13.0 1.0 H A:ASN132 5.0 4.6 1.0 N A:ASP131 5.0 3.8 1.0 HD2 A:LYS73 5.0 4.8 1.0

Potassium binding site 2 out of 2 in the Ctx-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Ctx-M-14 Class A Beta-Lactamase Apo Crystal Structure at 0.79 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:K304 b:4.0 occ:0.51 O B:HOH559 0.7 12.6 0.5 O4 B:PO4301 2.8 5.7 0.2 O B:SER130 2.8 5.0 1.0 O B:HOH654 2.8 8.2 1.0 O B:HOH446 2.8 16.8 0.5 OG B:SER70 2.9 4.2 1.0 OG B:SER130 2.9 5.0 1.0 OD1 B:ASN132 3.0 5.7 1.0 O4 B:PO4301 3.0 5.3 0.6 HB3 B:SER130 3.0 5.6 1.0 HD21 B:ASN132 3.3 7.7 1.0 HD1 B:TYR105 3.4 15.3 1.0 CB B:SER130 3.4 4.7 1.0 HZ2 B:LYS73 3.6 7.2 1.0 CG B:ASN132 3.7 5.0 1.0 C B:SER130 3.8 4.3 1.0 ND2 B:ASN132 3.8 6.4 1.0 O B:HOH429 3.8 2.0 0.5 HZ1 B:LYS73 3.8 7.2 1.0 HE2 B:LYS73 3.8 4.9 1.0 CB B:SER70 4.0 3.8 1.0 HB2 B:SER70 4.0 4.5 1.0 O B:HOH431 4.0 6.6 1.0 O B:HOH430 4.1 15.2 0.5 NZ B:LYS73 4.1 4.8 1.0 CA B:SER130 4.1 4.3 1.0 P B:PO4301 4.1 5.9 0.2 P B:PO4301 4.1 5.0 0.6 O2 B:PO4301 4.1 6.6 0.2 CD1 B:TYR105 4.2 12.7 1.0 HB3 B:TYR105 4.2 14.1 1.0 HB3 B:SER70 4.2 4.5 1.0 HB2 B:SER130 4.3 5.6 1.0 HA B:SER130 4.3 5.1 1.0 O B:HOH599 4.4 17.7 0.5 O2 B:PO4301 4.4 6.9 0.6 O3 B:PO4301 4.5 8.2 0.6 CE B:LYS73 4.5 4.1 1.0 HD22 B:ASN132 4.6 7.7 1.0 HE1 B:TYR105 4.6 15.9 1.0 O3 B:PO4301 4.7 6.8 0.2 HZ1 B:LYS234 4.7 6.0 1.0 CE1 B:TYR105 4.8 13.3 1.0 HZ3 B:LYS73 4.9 7.2 1.0 H B:ASN132 4.9 5.1 1.0 CB B:TYR105 4.9 11.7 1.0 HD2 B:LYS73 5.0 4.7 1.0 N B:ASP131 5.0 4.4 1.0

D.A.Nichols, J.C.Hargis, R.Sanishvili, P.Jaishankar, K.Defrees, E.W.Smith, K.K.Wang, F.Prati, A.R.Renslo, H.L.Woodcock, Y.Chen. Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed By X-Ray Crystallography. J.Am.Chem.Soc. V. 137 8086 2015.
ISSN: ESSN 1520-5126
PubMed: 26057252
DOI: 10.1021/JACS.5B00749