Sodium in PDB 3gc9: The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor

All present enzymatic activity of The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor:
2.7.11.24;

The structure of The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor, PDB code: 3gc9 was solved by G.Scapin, S.B.Patel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.184, 158.823, 60.874, 90.00, 91.59, 90.00
R / Rfree (%)	22.2 / 27.5

The structure of The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor also contains other interesting chemical elements:

Fluorine	(F)	2 atoms
Zinc	(Zn)	1 atom
Chlorine	(Cl)	6 atoms

The binding sites of Sodium atom in the The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor (pdb code 3gc9). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor, PDB code: 3gc9:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na601 b:32.4 occ:1.00 OD2 A:ASP316 2.5 32.2 1.0 OE2 A:GLU81 3.2 38.5 1.0 CG A:ASP316 3.2 32.6 1.0 OD1 A:ASP316 3.3 32.1 1.0 OE1 A:GLU81 3.3 39.0 1.0 CD A:GLU81 3.6 36.3 1.0 NH2 A:ARG136 3.9 34.5 1.0 NH1 A:ARG136 4.6 35.4 1.0 CZ A:ARG136 4.6 34.9 1.0 CB A:ASP316 4.7 31.5 1.0

Sodium binding site 2 out of 2 in the The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Na602 b:48.0 occ:1.00 OE1 B:GLU81 3.1 39.7 1.0 OE2 B:GLU81 3.2 39.0 1.0 OD2 B:ASP316 3.3 33.6 1.0 OD1 B:ASP316 3.4 29.6 1.0 CD B:GLU81 3.5 37.7 1.0 CG B:ASP316 3.8 32.5 1.0 NH2 B:ARG136 4.2 31.6 1.0 CZ B:ARG136 5.0 32.5 1.0

S.B.Patel, P.M.Cameron, S.J.O'keefe, B.Frantz-Wattley, J.Thompson, E.A.O'neill, T.Tennis, L.Liu, J.W.Becker, G.Scapin. The Three-Dimensional Structure of Map Kinase P38BETA: Different Features of the Atp-Binding Site in P38BETA Compared with P38ALPHA. Acta Crystallogr.,Sect.D V. 65 777 2009.
ISSN: ISSN 0907-4449
PubMed: 19622861
DOI: 10.1107/S090744490901600X