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Sodium in PDB 7bh5: Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico)

Enzymatic activity of Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico)

All present enzymatic activity of Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico):
3.5.2.6;

Protein crystallography data

The structure of Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico), PDB code: 7bh5 was solved by P.Hinchliffe, C.L.Tooke, A.Butryn, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.94 / 1.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 44.85, 45.493, 117.564, 90, 90, 90
R / Rfree (%) 17.8 / 20.2

Other elements in 7bh5:

The structure of Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico) (pdb code 7bh5). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico), PDB code: 7bh5:

Sodium binding site 1 out of 1 in 7bh5

Go back to Sodium Binding Sites List in 7bh5
Sodium binding site 1 out of 1 in the Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na303

b:29.0
occ:1.00
 HG1 A:THR181 2.0 23.0 1.0
HB2 A:PHE160 2.6 20.2 1.0
OD2 A:ASP157 2.6 18.3 1.0
HA A:MET186 2.8 19.6 0.3
HA A:MET186 2.8 19.5 0.7
OG1 A:THR181 2.8 19.2 1.0
HD2 A:PHE160 3.0 19.8 1.0
HG21 A:THR181 3.2 22.6 1.0
HB2 A:MET186 3.4 21.4 0.7
HB2 A:MET186 3.4 21.5 0.3
N A:MET186 3.4 16.1 0.3
N A:MET186 3.4 16.0 0.7
CA A:MET186 3.4 16.3 0.7
CA A:MET186 3.4 16.4 0.3
HB3 A:ALA185 3.5 26.3 1.0
CB A:PHE160 3.5 16.8 1.0
SD A:MET186 3.5 22.0 0.3
HB1 A:ALA185 3.5 26.3 1.0
CG A:ASP157 3.5 17.8 1.0
HG1 A:THR189 3.6 25.1 1.0
CB A:THR181 3.6 17.9 1.0
HB A:THR181 3.6 21.4 1.0
SD A:MET186 3.6 22.5 0.7
C A:ALA185 3.7 19.5 1.0
H A:MET186 3.7 19.3 0.3
H A:MET186 3.7 19.2 0.7
CG2 A:THR181 3.7 18.8 1.0
OD1 A:ASP157 3.8 20.4 1.0
CD2 A:PHE160 3.8 16.5 1.0
HA A:PHE160 3.8 21.1 1.0
CB A:MET186 3.8 17.9 0.7
H A:PHE160 3.8 20.8 1.0
HB A:THR189 3.9 24.6 1.0
O A:ALA185 3.9 19.9 1.0
CB A:MET186 3.9 17.9 0.3
CB A:ALA185 3.9 21.9 1.0
HG23 A:THR181 3.9 22.6 1.0
CA A:PHE160 4.1 17.6 1.0
HB3 A:PHE160 4.1 20.2 1.0
CG A:PHE160 4.1 17.0 1.0
N A:PHE160 4.2 17.3 1.0
HE3 A:MET186 4.2 20.8 0.3
OG1 A:THR189 4.3 21.0 1.0
HE2 A:MET186 4.3 28.9 0.7
CG A:MET186 4.4 18.3 0.3
HE1 A:MET186 4.4 28.9 0.7
CG A:MET186 4.4 18.3 0.7
CE A:MET186 4.4 17.3 0.3
CE A:MET186 4.4 24.1 0.7
CA A:ALA185 4.4 23.6 1.0
HB A:THR159 4.4 23.9 1.0
HG21 A:THR189 4.4 30.2 1.0
CB A:THR189 4.5 20.6 1.0
HE1 A:MET186 4.5 20.8 0.3
HG22 A:THR181 4.6 22.6 1.0
H A:SER182 4.7 20.3 1.0
HB3 A:MET186 4.7 21.4 0.7
HB2 A:ALA185 4.8 26.3 1.0
HB3 A:MET186 4.8 21.5 0.3
C A:MET186 4.8 17.4 0.7
C A:MET186 4.8 17.4 0.3
O A:SER182 4.8 19.1 1.0
HE3 A:MET75 4.9 30.5 0.7
CB A:ASP157 4.9 15.9 1.0
HG2 A:MET186 4.9 22.0 0.7
CG2 A:THR189 5.0 25.2 1.0
HG3 A:MET186 5.0 22.0 0.3
CA A:THR181 5.0 20.3 1.0
HG2 A:MET186 5.0 22.0 0.3

Reference:

P.Hinchliffe, C.L.Tooke, A.Butryn, J.Spencer. Xfel Structure of the Ertapenem-Derived Ctx-M-15 Acylenzyme After Mixing For 2 Sec Using A Piezoelectric Injector (Polypico) To Be Published.
Page generated: Tue Oct 8 16:13:09 2024

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