Magnesium in PDB 8tcf: Integrin Alpha-V Beta-8 in Complex with Minibinder B8_BP_DSULF

The structure of Integrin Alpha-V Beta-8 in Complex with Minibinder B8_BP_DSULF also contains other interesting chemical elements:

Calcium

(Ca)

5 atoms

The binding sites of Magnesium atom in the Integrin Alpha-V Beta-8 in Complex with Minibinder B8_BP_DSULF (pdb code 8tcf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Integrin Alpha-V Beta-8 in Complex with Minibinder B8_BP_DSULF, PDB code: 8tcf:

Magnesium binding site 1 out of 1 in the Integrin Alpha-V Beta-8 in Complex with Minibinder B8_BP_DSULF


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Integrin Alpha-V Beta-8 in Complex with Minibinder B8_BP_DSULF within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2002 b:24.4 occ:1.00 OD1 C:ASP12 1.8 25.1 1.0 OE2 B:GLU212 1.8 23.0 1.0 OG B:SER114 2.0 25.0 1.0 OG B:SER116 2.4 25.3 1.0 CD B:GLU212 2.9 22.6 1.0 CG C:ASP12 2.9 24.6 1.0 CB B:SER114 2.9 23.5 1.0 CB B:SER116 3.4 25.5 1.0 OD2 C:ASP12 3.6 24.3 1.0 CG B:GLU212 3.6 22.2 1.0 OE1 B:GLU212 3.7 22.8 1.0 N B:SER116 3.8 26.0 1.0 CB C:ASP12 4.0 25.6 1.0 CA B:SER114 4.1 25.1 1.0 C B:SER114 4.1 26.0 1.0 O B:THR210 4.2 22.6 1.0 N B:ALA115 4.2 25.1 1.0 CA B:SER116 4.2 26.0 1.0 OD1 B:ASP112 4.5 23.5 1.0 CA C:ASP12 4.5 26.2 1.0 OD2 B:ASP243 4.6 24.7 1.0 OD1 B:ASP243 4.6 23.8 1.0 OD2 B:ASP112 4.7 23.1 1.0 O B:SER114 4.7 24.6 1.0 ND2 B:ASN207 4.8 23.3 1.0 C B:ALA115 4.9 27.1 1.0 N B:SER114 4.9 23.5 1.0 N B:MET117 5.0 26.5 1.0 C B:SER116 5.0 26.2 1.0

A.Roy, L.Shi, A.Chang, X.Dong, A.Fernandez, J.C.Kraft, J.Li, V.Q.Le, R.V.Winegar, G.M.Cherf, D.Slocum, P.D.Poulson, G.E.Casper, M.L.Vallecillo-Zuniga, J.C.Valdoz, M.C.Miranda, H.Bai, Y.Kipnis, A.Olshefsky, T.Priya, L.Carter, R.Ravichandran, C.M.Chow, M.R.Johnson, S.Cheng, M.Smith, C.Overed-Sayer, D.K.Finch, D.Lowe, A.K.Bera, G.Matute-Bello, T.P.Birkland, F.Dimaio, G.Raghu, J.R.Cochran, L.J.Stewart, M.G.Campbell, P.M.Van Ry, T.Springer, D.Baker. De Novo Design of Highly Selective Miniprotein Inhibitors of Integrins Alpha V Beta 6 and Alpha V Beta 8. Nat Commun V. 14 5660 2023.
ISSN: ESSN 2041-1723
PubMed: 37704610
DOI: 10.1038/S41467-023-41272-Z