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Chlorine in PDB 2v98: Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place

Enzymatic activity of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place

All present enzymatic activity of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place:
3.1.1.7;

Protein crystallography data

The structure of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place, PDB code: 2v98 was solved by J.-P.Colletier, B.Sanson, A.Royant, A.Specht, F.Nachon, P.Masson, G.Zaccai, J.L.Sussman, M.Goeldner, I.Silman, D.Bourgeois, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 3.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.620, 104.470, 148.800, 90.00, 90.00, 90.00
R / Rfree (%) 20.2 / 24.9

Other elements in 2v98:

The structure of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place also contains other interesting chemical elements:

Fluorine (F) 24 atoms
Arsenic (As) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place (pdb code 2v98). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place, PDB code: 2v98:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2v98

Go back to Chlorine Binding Sites List in 2v98
Chlorine binding site 1 out of 2 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1536

b:48.2
occ:0.80
 CL A:CL1536 0.0 48.2 0.8
CL A:CL1536 0.2 50.6 0.2
OE1 A:GLU260 2.9 50.5 0.2
CG A:GLU163 3.0 46.9 0.8
CG A:GLU163 3.0 45.8 0.2
CB A:SER161 3.2 46.1 0.2
CB A:SER161 3.4 45.0 0.8
CB A:GLU163 3.8 46.0 0.8
CA A:SER161 3.9 46.4 0.8
CD A:GLU260 4.0 51.5 0.2
N A:GLN162 4.0 49.7 0.8
CB A:GLU163 4.0 46.0 0.2
O A:HOH2344 4.0 58.1 0.2
CA A:SER161 4.1 46.3 0.2
CD A:GLU163 4.1 46.0 0.2
OE1 A:GLU163 4.1 45.6 0.2
N A:GLU163 4.1 47.6 0.8
CD A:GLU163 4.2 48.3 0.8
O A:HOH2343 4.2 62.0 0.8
OG A:SER161 4.2 44.5 0.8
OE1 A:GLU260 4.3 57.8 0.8
OG A:SER161 4.3 46.0 0.2
CB A:GLU260 4.4 56.5 0.8
OE2 A:GLU163 4.5 46.8 0.8
C A:SER161 4.5 48.4 0.8
N A:GLN162 4.5 47.0 0.2
N A:GLU163 4.5 46.4 0.2
CB A:GLU260 4.6 52.1 0.2
CA A:GLU260 4.6 54.8 0.8
CD1 A:ILE263 4.6 48.9 0.2
CD1 A:ILE263 4.7 42.8 0.8
CD A:GLU260 4.7 58.0 0.8
CA A:GLU163 4.7 45.2 0.8
CA A:GLU260 4.7 52.0 0.2
N A:GLU260 4.7 54.4 0.8
OE2 A:GLU260 4.7 51.4 0.2
C A:SER161 4.7 46.7 0.2
N A:GLU260 4.8 52.1 0.2
CG A:GLU260 4.9 51.7 0.2
CA A:GLU163 4.9 45.5 0.2

Chlorine binding site 2 out of 2 in 2v98

Go back to Chlorine Binding Sites List in 2v98
Chlorine binding site 2 out of 2 in the Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Complex of Tcache with 1-(2-Nitrophenyl)-2,2,2- Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, During the First 5 Seconds of Which Laser Irradiation at 266NM Took Place within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1536

b:50.6
occ:0.20
 CL A:CL1536 0.0 50.6 0.2
CL A:CL1536 0.2 48.2 0.8
OE1 A:GLU260 2.9 50.5 0.2
CG A:GLU163 3.1 45.8 0.2
CG A:GLU163 3.1 46.9 0.8
CB A:SER161 3.2 46.1 0.2
CB A:SER161 3.4 45.0 0.8
O A:HOH2344 3.9 58.1 0.2
CA A:SER161 3.9 46.4 0.8
N A:GLN162 3.9 49.7 0.8
CB A:GLU163 3.9 46.0 0.8
O A:HOH2343 4.0 62.0 0.8
CA A:SER161 4.0 46.3 0.2
OE1 A:GLU163 4.0 45.6 0.2
CD A:GLU163 4.1 46.0 0.2
CD A:GLU260 4.1 51.5 0.2
CB A:GLU163 4.1 46.0 0.2
N A:GLU163 4.1 47.6 0.8
CD A:GLU163 4.2 48.3 0.8
OE1 A:GLU260 4.3 57.8 0.8
OG A:SER161 4.3 44.5 0.8
OG A:SER161 4.3 46.0 0.2
N A:GLN162 4.4 47.0 0.2
C A:SER161 4.4 48.4 0.8
N A:GLU163 4.5 46.4 0.2
OE2 A:GLU163 4.5 46.8 0.8
CB A:GLU260 4.5 56.5 0.8
C A:SER161 4.7 46.7 0.2
CA A:GLU163 4.7 45.2 0.8
CD A:GLU260 4.7 58.0 0.8
CB A:GLU260 4.7 52.1 0.2
CA A:GLU260 4.8 54.8 0.8
OE2 A:GLU260 4.8 51.4 0.2
CD1 A:ILE263 4.8 48.9 0.2
CD1 A:ILE263 4.8 42.8 0.8
CA A:GLU260 4.8 52.0 0.2
N A:GLU260 4.8 54.4 0.8
CA A:GLN162 5.0 49.2 0.8
CA A:GLU163 5.0 45.5 0.2
C A:GLN162 5.0 49.0 0.8
N A:GLU260 5.0 52.1 0.2
CG A:GLU260 5.0 51.7 0.2

Reference:

J.-P.Colletier, A.Royant, A.Specht, B.Sanson, F.Nachon, P.Masson, G.Zaccai, J.L.Sussman, M.Goeldner, I.Silman, D.Bourgeois, M.Weik. Use of A 'Caged' Analog to Study Traffic of Choline Within Acetylcholinesterase By Kinetic Crystallography Acta Crystallogr.,Sect.D V. 63 1115 2007.
ISSN: ISSN 0907-4449
PubMed: 18007027
DOI: 10.1107/S0907444907044472
Page generated: Sat Dec 12 09:20:05 2020

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