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Chlorine in PDB 2v97: Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature

Enzymatic activity of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature

All present enzymatic activity of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature:
3.1.1.7;

Protein crystallography data

The structure of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, PDB code: 2v97 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) 19.81 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 91.200, 104.460, 148.050, 90.00, 90.00, 90.00
R / Rfree (%) 20.7 / 27.2

Other elements in 2v97:

The structure of Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature 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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature (pdb code 2v97). 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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature, PDB code: 2v97:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2v97

Go back to Chlorine Binding Sites List in 2v97
Chlorine binding site 1 out of 2 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1536

b:49.8
occ:0.80
 CL A:CL1536 0.0 49.8 0.8
CL A:CL1536 0.0 49.1 0.2
CG A:GLU163 3.0 50.0 0.8
CG A:GLU163 3.1 50.3 0.2
CB A:SER161 3.3 51.3 0.2
CB A:SER161 3.6 50.8 0.8
CB A:GLU163 3.9 48.5 0.8
O A:HOH2346 3.9 54.9 0.2
O A:HOH2345 3.9 52.3 0.8
CB A:GLU163 3.9 48.7 0.2
N A:GLN162 4.0 51.6 0.8
N A:GLU163 4.0 49.9 0.8
CD A:GLU163 4.1 52.3 0.8
N A:GLN162 4.1 51.8 0.2
OG A:SER161 4.1 51.7 0.2
CA A:SER161 4.1 51.0 0.8
CB A:GLU260 4.2 47.1 0.8
N A:GLU163 4.2 49.7 0.2
CD A:GLU163 4.2 51.4 0.2
CA A:SER161 4.3 50.8 0.2
OE2 A:GLU163 4.3 46.9 0.8
CA A:GLU260 4.4 47.8 0.8
CB A:GLU260 4.4 48.9 0.2
OE1 A:GLU260 4.4 46.8 0.8
OG A:SER161 4.5 51.5 0.8
CA A:GLU260 4.5 49.0 0.2
CG A:GLU260 4.5 48.8 0.2
CD1 A:ILE263 4.5 36.9 0.8
OE2 A:GLU260 4.5 49.5 0.2
N A:GLU260 4.5 48.1 0.8
C A:SER161 4.5 51.7 0.8
CD A:GLU260 4.6 46.2 0.8
CA A:GLU163 4.6 47.5 0.8
OE2 A:GLU163 4.7 53.5 0.2
CD1 A:ILE263 4.7 41.4 0.2
CA A:GLU163 4.7 47.6 0.2
C A:SER161 4.8 51.4 0.2
CD A:GLU260 4.9 48.9 0.2
N A:GLU260 4.9 49.0 0.2
CG A:GLU260 4.9 45.6 0.8
C A:GLN162 4.9 51.2 0.8
CA A:GLN162 5.0 53.3 0.8
OE2 A:GLU260 5.0 34.4 0.8

Chlorine binding site 2 out of 2 in 2v97

Go back to Chlorine Binding Sites List in 2v97
Chlorine binding site 2 out of 2 in the Structure of the Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature


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 Unphotolysed Complex of Tcache with 1-(2- Nitrophenyl)-2,2,2-Trifluoroethyl-Arsenocholine After A 9 Seconds Annealing to Room Temperature within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1536

b:49.1
occ:0.20
 CL A:CL1536 0.0 49.1 0.2
CL A:CL1536 0.0 49.8 0.8
CG A:GLU163 3.0 50.0 0.8
CG A:GLU163 3.1 50.3 0.2
CB A:SER161 3.3 51.3 0.2
CB A:SER161 3.6 50.8 0.8
CB A:GLU163 3.9 48.5 0.8
O A:HOH2346 3.9 54.9 0.2
O A:HOH2345 3.9 52.3 0.8
CB A:GLU163 4.0 48.7 0.2
N A:GLN162 4.0 51.6 0.8
N A:GLU163 4.0 49.9 0.8
CD A:GLU163 4.1 52.3 0.8
OG A:SER161 4.1 51.7 0.2
N A:GLN162 4.1 51.8 0.2
CA A:SER161 4.2 51.0 0.8
CB A:GLU260 4.2 47.1 0.8
N A:GLU163 4.2 49.7 0.2
CD A:GLU163 4.3 51.4 0.2
CA A:SER161 4.3 50.8 0.2
OE2 A:GLU163 4.4 46.9 0.8
CA A:GLU260 4.4 47.8 0.8
CB A:GLU260 4.4 48.9 0.2
OE1 A:GLU260 4.4 46.8 0.8
CA A:GLU260 4.4 49.0 0.2
CG A:GLU260 4.5 48.8 0.2
OE2 A:GLU260 4.5 49.5 0.2
OG A:SER161 4.5 51.5 0.8
N A:GLU260 4.5 48.1 0.8
CD1 A:ILE263 4.5 36.9 0.8
C A:SER161 4.6 51.7 0.8
CD A:GLU260 4.6 46.2 0.8
CA A:GLU163 4.6 47.5 0.8
CD1 A:ILE263 4.8 41.4 0.2
OE2 A:GLU163 4.8 53.5 0.2
C A:SER161 4.8 51.4 0.2
CA A:GLU163 4.8 47.6 0.2
CD A:GLU260 4.8 48.9 0.2
N A:GLU260 4.9 49.0 0.2
CG A:GLU260 4.9 45.6 0.8
C A:GLN162 5.0 51.2 0.8
CA A:GLN162 5.0 53.3 0.8
OE2 A:GLU260 5.0 34.4 0.8

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 Jul 20 11:42:21 2024

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