Phosphorus in PDB 1a8i: Spirohydantoin Inhibitor of Glycogen Phosphorylase

All present enzymatic activity of Spirohydantoin Inhibitor of Glycogen Phosphorylase:
2.4.1.1;

The structure of Spirohydantoin Inhibitor of Glycogen Phosphorylase, PDB code: 1a8i was solved by M.Gregoriou, M.E.M.Noble, K.A.Watson, E.F.Garman, T.M.Krulle, C.De La Fuente, G.W.J.Fleet, N.G.Oikonomakos, L.N.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.90 / 1.78
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	127.470, 127.470, 115.800, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.9

The binding sites of Phosphorus atom in the Spirohydantoin Inhibitor of Glycogen Phosphorylase (pdb code 1a8i). This binding sites where shown within 5.0 Angstroms radius around Phosphorus atom.
In total only one binding site of Phosphorus was determined in the Spirohydantoin Inhibitor of Glycogen Phosphorylase, PDB code: 1a8i:

Phosphorus binding site 1 out of 1 in the Spirohydantoin Inhibitor of Glycogen Phosphorylase


Mono view


Stereo pair view

A full contact list of Phosphorus with other atoms in the P binding site number 1 of Spirohydantoin Inhibitor of Glycogen Phosphorylase within 5.0Å range: probe atom residue distance (Å) B Occ A:P680 b:20.4 occ:1.00 P A:LLP680 0.0 20.4 1.0 OP3 A:LLP680 1.4 19.1 1.0 OP1 A:LLP680 1.5 17.7 1.0 OP2 A:LLP680 1.6 17.6 1.0 OP4 A:LLP680 1.6 17.3 1.0 C5' A:LLP680 2.6 15.7 1.0 O A:HOH999 3.3 31.4 1.0 O A:HOH1023 3.5 15.5 1.0 N A:GLY677 3.6 15.5 1.0 C5 A:LLP680 3.9 17.1 1.0 NZ A:LYS568 3.9 17.0 1.0 O A:HOH1030 3.9 17.9 1.0 O A:HOH1033 3.9 19.0 1.0 O A:HOH1020 4.0 16.1 1.0 CA A:GLY677 4.0 17.8 1.0 CB A:LYS568 4.1 16.7 1.0 N A:THR676 4.2 17.2 1.0 O A:HOH1014 4.3 16.4 1.0 NZ A:LYS574 4.4 18.9 1.0 C6 A:LLP680 4.6 14.6 1.0 CA A:GLY675 4.7 16.2 1.0 OG1 A:THR676 4.7 18.0 1.0 C A:THR676 4.8 17.2 1.0 C4' A:LLP680 4.8 17.9 1.0 C4 A:LLP680 4.8 16.0 1.0 O A:VAL567 4.9 18.0 1.0 C A:GLY675 4.9 17.1 1.0 CA A:LYS568 4.9 17.1 1.0 CE A:LYS568 5.0 15.8 1.0

M.Gregoriou, M.E.Noble, K.A.Watson, E.F.Garman, T.M.Krulle, C.De La Fuente, G.W.Fleet, N.G.Oikonomakos, L.N.Johnson. The Structure of A Glycogen Phosphorylase Glucopyranose Spirohydantoin Complex at 1.8 A Resolution and 100 K: the Role of the Water Structure and Its Contribution to Binding. Protein Sci. V. 7 915 1998.
ISSN: ISSN 0961-8368
PubMed: 9568898