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Sodium in PDB 7bh7: Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24

Enzymatic activity of Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24

All present enzymatic activity of Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24:
3.5.2.6;

Protein crystallography data

The structure of Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24, PDB code: 7bh7 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) 59.52 / 1.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 45.258, 45.975, 119.032, 90, 90, 90
R / Rfree (%) 16.2 / 19.3

Other elements in 7bh7:

The structure of Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24 (pdb code 7bh7). 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 Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24, PDB code: 7bh7:

Sodium binding site 1 out of 1 in 7bh7

Go back to Sodium Binding Sites List in 7bh7
Sodium binding site 1 out of 1 in the Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na303

b:18.3
occ:1.00
 HG1 A:THR181 2.0 13.0 1.0
HB2 A:PHE160 2.6 10.4 1.0
OD2 A:ASP157 2.6 10.1 1.0
HA A:MET186 2.8 12.0 0.5
HA A:MET186 2.8 12.0 0.5
OG1 A:THR181 2.8 10.8 1.0
HD2 A:PHE160 3.0 9.8 1.0
HG21 A:THR181 3.1 11.4 1.0
HB2 A:MET186 3.4 11.1 0.5
HB2 A:MET186 3.4 11.1 0.5
CA A:MET186 3.5 10.0 0.5
CA A:MET186 3.5 10.0 0.5
SD A:MET186 3.5 14.1 0.5
N A:MET186 3.5 9.3 0.5
CB A:PHE160 3.5 8.7 1.0
N A:MET186 3.5 9.3 0.5
SD A:MET186 3.6 14.3 0.5
CB A:THR181 3.6 9.7 1.0
HB A:THR181 3.6 11.6 1.0
HB1 A:ALA185 3.6 14.5 1.0
CG A:ASP157 3.6 10.3 1.0
HB3 A:ALA185 3.6 14.5 1.0
C A:ALA185 3.7 8.8 1.0
CG2 A:THR181 3.7 9.5 1.0
HG1 A:THR189 3.7 13.2 1.0
CD2 A:PHE160 3.8 8.2 1.0
H A:MET186 3.8 11.2 0.5
H A:MET186 3.8 11.2 0.5
CB A:MET186 3.8 9.2 0.5
OD1 A:ASP157 3.8 9.6 1.0
O A:ALA185 3.9 10.9 1.0
H A:PHE160 3.9 9.7 1.0
CB A:MET186 3.9 9.2 0.5
HA A:PHE160 3.9 10.6 1.0
HG23 A:THR181 3.9 11.4 1.0
HB A:THR189 4.0 10.0 1.0
CB A:ALA185 4.0 12.1 1.0
HB3 A:PHE160 4.1 10.4 1.0
CA A:PHE160 4.1 8.8 1.0
CG A:PHE160 4.2 8.8 1.0
N A:PHE160 4.2 8.1 1.0
HE3 A:MET186 4.3 16.1 0.5
CG A:MET186 4.3 11.3 0.5
CG A:MET186 4.3 11.3 0.5
OG1 A:THR189 4.4 11.0 1.0
CE A:MET186 4.4 13.4 0.5
HE2 A:MET186 4.5 14.8 0.5
CA A:ALA185 4.5 9.3 1.0
HB A:THR159 4.5 12.5 1.0
CE A:MET186 4.5 12.4 0.5
HE1 A:MET186 4.5 14.8 0.5
HE1 A:MET186 4.6 16.1 0.5
HG21 A:THR189 4.6 19.5 1.0
CB A:THR189 4.6 8.3 1.0
HG22 A:THR181 4.6 11.4 1.0
H A:SER182 4.7 11.6 1.0
HB3 A:MET186 4.7 11.1 0.5
HB3 A:MET186 4.8 11.1 0.5
HG2 A:MET186 4.8 13.6 0.5
C A:MET186 4.8 7.5 0.5
C A:MET186 4.8 7.5 0.5
HE3 A:MET75 4.9 17.9 0.6
HB2 A:ALA185 4.9 14.5 1.0
O A:SER182 4.9 9.8 1.0
HG2 A:MET186 4.9 13.6 0.5
CE2 A:PHE160 5.0 10.6 1.0
CB A:ASP157 5.0 7.6 1.0
HG3 A:MET186 5.0 13.6 0.5

Reference:

P.Hinchliffe, C.L.Tooke, A.Butryn, J.Spencer. Room Temperature, Serial X-Ray Structure of the Ertapenem-Derived Acylenzyme of Ctx-M-15 (10 Min Soak) Collected on Fixed Target Chips at Diamond Light Source I24 To Be Published.
Page generated: Tue Oct 8 16:13:24 2024

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