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Chlorine in PDB 2vjb: Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K

Enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K

All present enzymatic activity of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K:
3.1.1.7;

Protein crystallography data

The structure of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K, PDB code: 2vjb was solved by J.P.Colletier, D.Bourgeois, D.Fournier, I.Silman, J.L.Sussman, M.Weik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.35 / 2.39
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 92.070, 107.290, 151.490, 90.00, 90.00, 90.00
R / Rfree (%) 19 / 24.4

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K (pdb code 2vjb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K, PDB code: 2vjb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 2vjb

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Chlorine binding site 1 out of 4 in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1538

b:71.5
occ:1.00
 O A:HOH2063 2.4 55.6 1.0
O A:HOH2722 3.1 53.6 1.0
OH A:TYR134 3.6 36.2 1.0
NZ A:LYS133 3.7 33.6 1.0
CE2 A:TYR134 4.2 34.6 1.0
CZ A:TYR134 4.4 35.0 1.0
CE A:LYS133 4.4 36.3 1.0
N A:LEU23 4.4 51.7 1.0
OE1 A:GLU455 4.5 68.2 1.0
O A:PRO21 4.7 50.5 1.0
CA A:VAL22 4.9 50.8 1.0

Chlorine binding site 2 out of 4 in 2vjb

Go back to Chlorine Binding Sites List in 2vjb
Chlorine binding site 2 out of 4 in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1543

b:86.9
occ:1.00
 O A:HOH2233 2.7 67.3 1.0
O A:HOH2232 2.7 66.9 1.0
O A:HOH2229 2.8 57.3 1.0
O A:HOH2245 2.9 60.5 1.0
O A:HOH2247 3.2 60.9 1.0
O A:HOH2234 3.5 75.0 1.0
O A:HOH2094 3.9 54.7 1.0
CA A:ARG88 4.0 35.4 1.0
N A:ARG88 4.2 32.4 1.0
O A:ASN87 4.2 33.2 1.0
C A:ASN87 4.2 32.9 1.0
C A:ARG88 4.3 35.7 1.0
N A:GLU89 4.6 36.6 1.0
O A:HOH2243 4.7 60.6 1.0
O A:ARG88 4.7 35.9 1.0
O A:HOH2240 4.9 41.9 1.0
CA A:ASN87 5.0 32.3 1.0

Chlorine binding site 3 out of 4 in 2vjb

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Chlorine binding site 3 out of 4 in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1544

b:66.0
occ:1.00
 O A:HOH2058 3.0 52.1 1.0
O A:HOH2061 3.5 71.2 1.0
O A:HOH2773 3.7 53.0 1.0
N A:THR497 3.8 39.0 1.0
O A:HOH2847 4.0 44.3 1.0
OG1 A:THR497 4.0 40.1 1.0
CB A:THR496 4.0 39.5 1.0
CA A:THR496 4.2 38.9 1.0
CG2 A:THR412 4.4 29.5 1.0
CB A:THR497 4.4 40.4 1.0
O A:HOH2025 4.5 60.4 1.0
C A:THR496 4.5 38.6 1.0
O A:THR412 4.5 32.6 1.0
CG2 A:THR496 4.5 35.8 1.0
O A:HOH2684 4.6 32.4 1.0
CA A:THR497 4.7 41.3 1.0

Chlorine binding site 4 out of 4 in 2vjb

Go back to Chlorine Binding Sites List in 2vjb
Chlorine binding site 4 out of 4 in the Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Torpedo Californica Acetylcholinesterase in Complex with A Non Hydrolysable Substrate Analogue, 4-Oxo-N,N,N- Trimethylpentanaminium - Orthorhombic Space Group - Dataset D at 100K within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1538

b:64.8
occ:1.00
 O B:HOH2703 2.7 87.9 1.0
O B:HOH2572 2.7 66.2 1.0
O B:HOH2571 2.7 52.3 1.0
ND2 B:ASN525 3.3 26.5 1.0
O B:HOH2708 3.3 58.7 1.0
O B:HOH2569 3.3 30.6 1.0
CB B:CYS521 3.9 31.2 1.0
O B:CYS521 4.2 34.1 1.0
CG B:ASN525 4.3 29.0 1.0
ND2 B:ASN409 4.3 31.2 1.0
CB B:ASN525 4.4 30.9 1.0
C B:CYS521 4.4 31.9 1.0
CB B:MET405 4.5 26.7 1.0
CA B:CYS521 4.8 31.1 1.0
N B:VAL522 4.8 29.1 1.0
N B:HIS406 4.8 26.6 1.0
C B:MET405 4.8 26.7 1.0
O B:HOH2570 4.9 54.6 1.0
O B:MET405 4.9 27.2 1.0
CA B:HIS406 4.9 26.7 1.0

Reference:

J.P.Colletier, D.Bourgeois, B.Sanson, D.Fournier, J.L.Sussman, I.Silman, M.Weik. Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics By Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.Usa V. 105 11742 2008.
ISSN: ISSN 0027-8424
PubMed: 18701720
DOI: 10.1073/PNAS.0804828105
Page generated: Fri Jul 11 00:50:50 2025

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