Magnesium in PDB 8qfe: Cryogenic Crystal Structure of the Photoactivated Adenylate Cyclase Oapac

The structure of Cryogenic Crystal Structure of the Photoactivated Adenylate Cyclase Oapac, PDB code: 8qfe was solved by A.Chretien, M.F.Nagel, S.Botha, R.De Wijn, L.Brings, K.Doerner, H.Han, J.Koliyadu, R.Letrun, A.Round, T.Sato, C.Schmidt, R.Secareanu, D.Vonstetten, M.Vakili, A.Wrona, R.Bean, A.Mancuso, J.Schulz, A.Pearson, T.Kottke, K.Lorenzen, R.Schubert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.22 / 1.50
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	52.856, 146.202, 103.595, 90, 90, 90
R / Rfree (%)	16.4 / 18.9

The binding sites of Magnesium atom in the Cryogenic Crystal Structure of the Photoactivated Adenylate Cyclase Oapac (pdb code 8qfe). 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 Cryogenic Crystal Structure of the Photoactivated Adenylate Cyclase Oapac, PDB code: 8qfe:

Magnesium binding site 1 out of 1 in the Cryogenic Crystal Structure of the Photoactivated Adenylate Cyclase Oapac


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryogenic Crystal Structure of the Photoactivated Adenylate Cyclase Oapac within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:24.6 occ:1.00 O A:ILE157 2.3 21.1 1.0 O A:HOH745 2.3 47.2 1.0 O A:HOH543 2.4 40.6 1.0 OD2 A:ASP200 2.4 25.0 1.0 OD2 A:ASP156 2.5 29.1 1.0 O A:HOH624 3.1 40.5 1.0 HB3 A:PHE160 3.1 37.7 1.0 H A:PHE160 3.2 34.4 0.9 H A:PHE160 3.2 34.4 0.1 CG A:ASP156 3.2 27.0 1.0 HB2 A:PHE160 3.3 37.7 1.0 CG A:ASP200 3.4 27.9 1.0 C A:ILE157 3.5 19.4 1.0 H A:ILE157 3.5 20.8 1.0 HB2 A:ASP156 3.5 28.2 1.0 OD1 A:ASP200 3.6 26.0 1.0 CB A:PHE160 3.7 31.4 1.0 O A:HOH717 3.7 48.8 1.0 N A:ILE157 3.8 17.3 1.0 OD1 A:ASP156 3.9 25.2 1.0 CB A:ASP156 4.0 23.5 1.0 N A:PHE160 4.0 28.6 1.0 HB A:ILE157 4.0 23.8 1.0 O A:HOH729 4.0 42.2 1.0 HH21 A:ARG283 4.0 48.1 1.0 CA A:ILE157 4.1 18.6 1.0 O A:HOH795 4.2 55.3 1.0 H A:SER159 4.2 34.0 0.9 H A:SER159 4.3 34.1 0.1 HA A:VAL158 4.3 27.6 1.0 CA A:PHE160 4.5 27.7 1.0 O A:HOH628 4.5 28.8 1.0 N A:SER159 4.5 28.3 0.9 N A:SER159 4.5 28.4 0.1 C A:ASP156 4.5 20.1 1.0 N A:VAL158 4.5 19.9 1.0 CB A:ILE157 4.6 19.8 1.0 NH2 A:ARG283 4.6 40.1 1.0 HB3 A:ASP156 4.7 28.2 1.0 CB A:ASP200 4.7 22.4 1.0 CA A:VAL158 4.8 23.0 1.0 C A:VAL158 4.8 25.8 1.0 HB2 A:ASP200 4.8 26.9 1.0 CG A:PHE160 4.8 35.4 1.0 HH22 A:ARG283 4.8 48.1 1.0 CA A:ASP156 4.9 18.3 1.0 HG22 A:ILE157 4.9 24.3 1.0 HE A:ARG283 4.9 46.9 1.0 HD2 A:PHE160 5.0 52.9 1.0 H A:SER161 5.0 40.7 1.0

A.Chretien, M.F.Nagel, S.Botha, R.De Wijn, L.Brings, K.Doerner, H.Han, J.Koliyadu, R.Letrun, A.Round, T.Sato, C.Schmidt, R.Secareanu, D.Von Stetten, M.Vakili, A.Wrona, R.Bean, A.Mancuso, J.Schulz, A.Pearson, T.Kottke, K.Lorenzen, R.Schubert. Light-Induced Trpin/Metout Switching During Bluf Domain Activation in Atp-Bound Photoactivatable Adenylate Cyclase Oapac To Be Published.