Potassium in PDB 7ta6: Trimer-to-Monomer Disruption of Tumor Necrosis Factor-Alpha (Tnf- Alpha) By Unnatural Alpha/Beta-Peptide-1

The structure of Trimer-to-Monomer Disruption of Tumor Necrosis Factor-Alpha (Tnf- Alpha) By Unnatural Alpha/Beta-Peptide-1, PDB code: 7ta6 was solved by J.Niu, C.A.Bingman, S.H.Gellman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.74 / 2.67
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	143.774, 143.552, 76.888, 90, 97.85, 90
R / Rfree (%)	24.5 / 27.3

The binding sites of Potassium atom in the Trimer-to-Monomer Disruption of Tumor Necrosis Factor-Alpha (Tnf- Alpha) By Unnatural Alpha/Beta-Peptide-1 (pdb code 7ta6). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the Trimer-to-Monomer Disruption of Tumor Necrosis Factor-Alpha (Tnf- Alpha) By Unnatural Alpha/Beta-Peptide-1, PDB code: 7ta6:

Potassium binding site 1 out of 1 in the Trimer-to-Monomer Disruption of Tumor Necrosis Factor-Alpha (Tnf- Alpha) By Unnatural Alpha/Beta-Peptide-1


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Trimer-to-Monomer Disruption of Tumor Necrosis Factor-Alpha (Tnf- Alpha) By Unnatural Alpha/Beta-Peptide-1 within 5.0Å range: probe atom residue distance (Å) B Occ H:K201 b:108.1 occ:1.00 OE2 H:GLU23 2.9 119.1 1.0 HA H:GLU23 3.0 144.9 1.0 CD H:GLU23 3.4 128.4 1.0 HA H:PRO20 3.6 123.1 1.0 O H:ASN19 3.7 107.4 1.0 O H:PRO20 3.8 110.2 1.0 HD23 H:LEU142 3.8 106.4 1.0 OE1 H:GLU23 3.9 121.8 1.0 CA H:GLU23 3.9 120.6 1.0 O H:ALA22 3.9 124.3 1.0 HG3 H:GLU23 4.0 149.2 1.0 HB3 H:ALA145 4.0 112.5 1.0 CG H:GLU23 4.2 124.2 1.0 H H:GLY24 4.2 152.3 1.0 C H:ALA22 4.3 125.4 1.0 N H:GLU23 4.3 118.9 1.0 O H:GLN25 4.3 109.0 1.0 C H:PRO20 4.4 108.6 1.0 O H:LEU142 4.4 95.8 1.0 HB2 H:ALA145 4.4 112.5 1.0 CA H:PRO20 4.4 102.5 1.0 HG H:LEU142 4.5 106.7 1.0 HB3 H:LEU142 4.5 111.8 1.0 CB H:GLU23 4.6 120.1 1.0 HA H:ASP143 4.6 103.9 1.0 CD2 H:LEU142 4.6 88.5 1.0 CB H:ALA145 4.6 93.6 1.0 H H:GLN25 4.7 137.6 1.0 HD22 H:LEU142 4.7 106.4 1.0 C H:ASN19 4.8 105.7 1.0 N H:GLY24 4.8 126.8 1.0 HB2 H:GLU23 4.8 144.3 1.0 H H:GLU23 4.9 142.8 1.0 C H:GLU23 4.9 119.5 1.0 H H:ALA22 4.9 148.2 1.0 CG H:LEU142 5.0 88.8 1.0 HB1 H:ALA145 5.0 112.5 1.0

J.Niu, A.J.Cederstrand, G.A.Eddinger, B.Yin, J.W.Checco, C.A.Bingman, V.K.Outlaw, S.H.Gellman. Trimer-to-Monomer Disruption Mechanism For A Potent, Protease-Resistant Antagonist of Tumor Necrosis Factor-Alpha Signaling. J.Am.Chem.Soc. V. 144 9610 2022.
ISSN: ESSN 1520-5126
PubMed: 35613436
DOI: 10.1021/JACS.1C13717