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Zinc 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
Chlorine (Cl) 6 atoms
Sodium (Na) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total only one binding site of Zinc was determined in the The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor, PDB code: 3gc9:

Zinc binding site 1 out of 1 in 3gc9

Go back to Zinc Binding Sites List in 3gc9
Zinc binding site 1 out of 1 in the The Structure of P38BETA C119S, C162S in Complex with A Dihydroquinazolinone Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn 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
B:Zn603

b:24.1
occ:1.00
 OD1 B:ASP294 1.9 25.8 1.0
OE2 B:GLU245 2.0 22.2 1.0
OD2 B:ASP292 2.0 28.5 1.0
NE2 A:HIS199 2.0 20.9 1.0
CG B:ASP292 2.8 26.8 1.0
CD B:GLU245 2.8 25.3 1.0
OD1 B:ASP292 2.9 26.4 1.0
CG B:ASP294 2.9 26.8 1.0
OE1 B:GLU245 3.0 25.2 1.0
CE1 A:HIS199 3.0 19.7 1.0
CD2 A:HIS199 3.0 19.1 1.0
OD2 B:ASP294 3.2 23.1 1.0
CG B:GLN295 4.0 30.7 1.0
NZ B:LYS249 4.1 40.3 1.0
ND1 A:HIS199 4.1 19.9 1.0
CG A:HIS199 4.1 21.5 1.0
CG B:GLU245 4.2 25.7 1.0
CB B:ASP292 4.2 27.6 1.0
NE2 B:GLN295 4.3 32.5 1.0
CB B:ASP294 4.3 26.3 1.0
O B:HOH560 4.4 25.3 1.0
CB A:MET198 4.4 28.5 1.0
O B:HOH437 4.5 20.6 1.0
CD B:GLN295 4.6 34.8 1.0
O B:HOH491 4.6 40.4 1.0
CG A:MET198 4.7 32.4 1.0
C B:ASP294 4.7 28.7 1.0
CA B:ASP294 4.7 27.9 1.0
CE B:LYS249 4.7 41.5 1.0
N B:GLN295 4.7 29.0 1.0
N B:ASP294 4.7 27.3 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: Wed Dec 16 04:20:31 2020

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