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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 3gc9:

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

Sodium Binding Sites:

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 3gc9

Go back to Sodium Binding Sites List in 3gc9
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 3gc9

Go back to Sodium Binding Sites List in 3gc9
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

Reference:

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
Page generated: Mon Oct 7 09:57:57 2024

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